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

Systemtic Name: N-(2-ethylphenyl)-2-[8-methoxy-5-methyl-4-oxidanylidene-3-(phenylmethyl)pyrimido[5,4-b]indol-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-8-methoxy-5-methyl-4-oxo-pyrimido[5,4-b]indol-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide CAS Name: N-(2-ethylphenyl)-2-[[8-methoxy-5-methyl-4-oxo-3-(phenylmethyl)-2-pyrimido[5,4-b]indolyl]thio]acetamide IUPAC Name: 2-(3-benzyl-8-methoxy-5-methyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-8-methoxy-5-methyl-pyrimid[5,4-b]indol-2-yl)thio]-N-(2-ethylphenyl)acetamide Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C

InChI

InChI=1S/C29H28N4O3S/c1-4-20-12-8-9-13-23(20)30-25(34)18-37-29-31-26-22-16-21(36-3)14-15-24(22)32(2)27(26)28(35)33(29)17-19-10-6-5-7-11-19/h5-16H,4,17-18H2,1-3H3,(H,30,34)