N-(3-methylphenyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(m-tolyl)-4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-(3-methylphenyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(3-methylphenyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: 4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(m-tolyl)cyclohexanecarboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H25N3O2S/c1-15-5-4-6-18(13-15)24-21(27)17-11-9-16(10-12-17)14-26-22(28)19-7-2-3-8-20(19)25-23(26)29/h2-8,13,16-17H,9-12,14H2,1H3,(H,24,27)(H,25,29)