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

Systemtic Name: N-(4-butylphenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[[3-(3,5-dimethylphenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]acetamide Formula: C30H30N4O2S MolecularWeight: 510.6498

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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)C)C)NC5=CC=CC=C53

Isomeric SMILES

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

InChI

InChI=1S/C30H30N4O2S/c1-4-5-8-21-11-13-22(14-12-21)31-26(35)18-37-30-33-27-24-9-6-7-10-25(24)32-28(27)29(36)34(30)23-16-19(2)15-20(3)17-23/h6-7,9-17,32H,4-5,8,18H2,1-3H3,(H,31,35)