N-(5-chloranyl-2-methoxy-phenyl)-2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C21H19ClN4O3S/c1-3-26-20(28)19-18(13-6-4-5-7-14(13)24-19)25-21(26)30-11-17(27)23-15-10-12(22)8-9-16(15)29-2/h4-10,24H,3,11H2,1-2H3,(H,23,27)