N-(3-ethylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-ethylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: N-(3-ethylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-(3-ethylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-(3-ethylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(3-ethylphenyl)-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:

CCC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)C

InChI

InChI=1S/C21H20N4OS/c1-3-14-5-4-6-15(10-14)24-18(26)11-27-21-20-19(22-12-23-21)16-9-13(2)7-8-17(16)25-20/h4-10,12,25H,3,11H2,1-2H3,(H,24,26)