(2S)-N-[4-[8-[bis(azanyl)methylideneamino]-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]propanamide

Systemtic Name: (2S)-N-[4-[8-[bis(azanyl)methylideneamino]-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]propanamide Openeye Name: (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[4-(8-guanidino-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]propanamide CAS Name: (2S)-N-[4-[8-(diaminomethylideneamino)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]-2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-[4-[8-(diaminomethylideneamino)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide Traditional Name: (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[4-(8-guanidino-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]propionamide Formula: C27H27F2N7O2S MolecularWeight: 551.610786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C2=CN3C4=C(CCCC4N=C(N)N)SC3=N2)NC(=O)CC5=CC(=CC(=C5)F)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C2=CN3C4=C(CCCC4N=C(N)N)SC3=N2)NC(=O)CC5=CC(=CC(=C5)F)F

InChI

InChI=1S/C27H27F2N7O2S/c1-14(32-23(37)11-15-9-17(28)12-18(29)10-15)25(38)33-19-7-5-16(6-8-19)21-13-36-24-20(34-26(30)31)3-2-4-22(24)39-27(36)35-21/h5-10,12-14,20H,2-4,11H2,1H3,(H,32,37)(H,33,38)(H4,30,31,34)/t14-,20?/m0/s1