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

Systemtic Name: 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(4-ethylphenyl)acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC)NC4=CC=CC=C43

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC)NC4=CC=CC=C43

InChI

InChI=1S/C22H22N4O2S/c1-3-14-9-11-15(12-10-14)23-18(27)13-29-22-25-19-16-7-5-6-8-17(16)24-20(19)21(28)26(22)4-2/h5-12,24H,3-4,13H2,1-2H3,(H,23,27)