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

Systemtic Name: N-(4-butylphenyl)-2-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[(4-keto-3-phenyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

InChI

InChI=1S/C28H26N4O2S/c1-2-3-9-19-14-16-20(17-15-19)29-24(33)18-35-28-31-25-22-12-7-8-13-23(22)30-26(25)27(34)32(28)21-10-5-4-6-11-21/h4-8,10-17,30H,2-3,9,18H2,1H3,(H,29,33)