3-[6-ethoxy-2-[[4-(1-phenylpropan-2-ylamino)phenyl]diazenyl]-2H-1,3-benzothiazol-3-yl]propanamide

Systemtic Name: 3-[6-ethoxy-2-[[4-(1-phenylpropan-2-ylamino)phenyl]diazenyl]-2H-1,3-benzothiazol-3-yl]propanamide Openeye Name: 3-[6-ethoxy-2-[4-[(1-methyl-2-phenyl-ethyl)amino]phenyl]azo-2H-1,3-benzothiazol-3-yl]propanamide CAS Name: 3-[6-ethoxy-2-[4-(1-phenylpropan-2-ylamino)phenyl]azo-2H-1,3-benzothiazol-3-yl]propanamide IUPAC Name: 3-[6-ethoxy-2-[[4-(1-phenylpropan-2-ylamino)phenyl]diazenyl]-2H-1,3-benzothiazol-3-yl]propanamide Traditional Name: 3-[6-ethoxy-2-[4-[(1-methyl-2-phenyl-ethyl)amino]phenyl]azo-2H-1,3-benzothiazol-3-yl]propionamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)NC(C)CC4=CC=CC=C4)CCC(=O)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)NC(C)CC4=CC=CC=C4)CCC(=O)N

InChI

InChI=1S/C27H31N5O2S/c1-3-34-23-13-14-24-25(18-23)35-27(32(24)16-15-26(28)33)31-30-22-11-9-21(10-12-22)29-19(2)17-20-7-5-4-6-8-20/h4-14,18-19,27,29H,3,15-17H2,1-2H3,(H2,28,33)