2-[8-methoxy-5-methyl-4-oxidanylidene-3-(phenylmethyl)pyrimido[5,4-b]indol-2-yl]sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[8-methoxy-5-methyl-4-oxidanylidene-3-(phenylmethyl)pyrimido[5,4-b]indol-2-yl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-(3-benzyl-8-methoxy-5-methyl-4-oxo-pyrimido[5,4-b]indol-2-yl)sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[8-methoxy-5-methyl-4-oxo-3-(phenylmethyl)-2-pyrimido[5,4-b]indolyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-(3-benzyl-8-methoxy-5-methyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-8-methoxy-5-methyl-pyrimid[5,4-b]indol-2-yl)thio]-N-(m-tolyl)acetamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C

InChI

InChI=1S/C28H26N4O3S/c1-18-8-7-11-20(14-18)29-24(33)17-36-28-30-25-22-15-21(35-3)12-13-23(22)31(2)26(25)27(34)32(28)16-19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3,(H,29,33)