N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-phenylsulfanyl-butanamide Openeye Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylthio)butanamide IUPAC Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3S2/c1-30-21-15-16-22(31-2)25-24(21)27-26(33-25)28(18-19-10-5-3-6-11-19)23(29)14-9-17-32-20-12-7-4-8-13-20/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3