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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: 2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(4-methylbenzyl)-2-[(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)C

InChI

InChI=1S/C21H20N4OS/c1-13-3-6-15(7-4-13)10-22-18(26)11-27-21-20-19(23-12-24-21)16-9-14(2)5-8-17(16)25-20/h3-9,12,25H,10-11H2,1-2H3,(H,22,26)