N-(3,4-dimethoxyphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43)OC

InChI

InChI=1S/C20H18N4O3S/c1-26-15-8-7-12(9-16(15)27-2)23-17(25)10-28-20-19-18(21-11-22-20)13-5-3-4-6-14(13)24-19/h3-9,11,24H,10H2,1-2H3,(H,23,25)