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

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C27H28N2O4S2 MolecularWeight: 508.65222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4S3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4S3)OC)OC

InChI

InChI=1S/C27H28N2O4S2/c1-31-20-11-13-21(14-12-20)34-17-7-10-24(30)29(18-19-8-5-4-6-9-19)27-28-25-22(32-2)15-16-23(33-3)26(25)35-27/h4-6,8-9,11-16H,7,10,17-18H2,1-3H3