N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S/c28-22(25-14-13-17-7-3-1-4-8-17)19-11-12-20-21(15-19)26-24(30)27(23(20)29)16-18-9-5-2-6-10-18/h2,5-7,9-12,15H,1,3-4,8,13-14,16H2,(H,25,28)(H,26,30)