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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetamide Formula: C19H15ClN4O2S MolecularWeight: 398.866

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O2S/c1-26-15-7-6-11(8-13(15)20)23-16(25)9-27-19-18-17(21-10-22-19)12-4-2-3-5-14(12)24-18/h2-8,10,24H,9H2,1H3,(H,23,25)