N-(4-ethanoylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN=C3SCC(=O)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN=C3SCC(=O)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C21H18N4O2S/c1-12-3-8-17-16(9-12)19-20(25-17)21(23-11-22-19)28-10-18(27)24-15-6-4-14(5-7-15)13(2)26/h3-9,11,25H,10H2,1-2H3,(H,24,27)