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

Systemtic Name: N-(4-phenylbutan-2-yl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-(4-phenylbutan-2-yl)-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-(4-phenylbutan-2-yl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43

InChI

InChI=1S/C22H22N4OS/c1-15(11-12-16-7-3-2-4-8-16)25-19(27)13-28-22-21-20(23-14-24-22)17-9-5-6-10-18(17)26-21/h2-10,14-15,26H,11-13H2,1H3,(H,25,27)