N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-amine

Systemtic Name: N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-amine Openeye Name: N-(4,6-dimorpholino-1,3,5-triazin-2-yl)-2-(1-naphthylmethylsulfanyl)-1,3-benzothiazol-6-amine CAS Name: N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(1-naphthalenylmethylthio)-1,3-benzothiazol-6-amine IUPAC Name: N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-amine Traditional Name: (4,6-dimorpholino-s-triazin-2-yl)-[2-(1-naphthylmethylthio)-1,3-benzothiazol-6-yl]amine Formula: C29H29N7O2S2 MolecularWeight: 571.71626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=CC6=CC=CC=C65)N7CCOCC7

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=CC6=CC=CC=C65)N7CCOCC7

InChI

InChI=1S/C29H29N7O2S2/c1-2-7-23-20(4-1)5-3-6-21(23)19-39-29-31-24-9-8-22(18-25(24)40-29)30-26-32-27(35-10-14-37-15-11-35)34-28(33-26)36-12-16-38-17-13-36/h1-9,18H,10-17,19H2,(H,30,32,33,34)