N-(2,3-dimethylcyclohexyl)-3-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-3-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-3-[2-(1H-indol-3-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H30N4O2S/c1-16-6-5-9-22(17(16)2)29-25(32)18-10-11-21-24(14-18)30-27(34)31(26(21)33)13-12-19-15-28-23-8-4-3-7-20(19)23/h3-4,7-8,10-11,14-17,22,28H,5-6,9,12-13H2,1-2H3,(H,29,32)(H,30,34)