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

Systemtic Name: N-(4-butylphenyl)-2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(4-butylphenyl)acetamide CAS Name: N-(4-butylphenyl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(4-butylphenyl)acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

InChI

InChI=1S/C25H26N4O2S/c1-3-5-8-17-11-13-18(14-12-17)26-21(30)16-32-25-28-22-19-9-6-7-10-20(19)27-23(22)24(31)29(25)15-4-2/h4,6-7,9-14,27H,2-3,5,8,15-16H2,1H3,(H,26,30)