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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(4-chlorobenzyl)-2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetamide Formula: C19H15ClN4OS MolecularWeight: 382.8666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=NC=N3)SCC(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=NC=N3)SCC(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H15ClN4OS/c20-13-7-5-12(6-8-13)9-21-16(25)10-26-19-18-17(22-11-23-19)14-3-1-2-4-15(14)24-18/h1-8,11,24H,9-10H2,(H,21,25)