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

Systemtic Name: N-butyl-3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-butyl-3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-butyl-3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-butyl-3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-butyl-3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CCCCC3

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CCCCC3

InChI

InChI=1S/C21H27N3O2S/c1-2-3-12-22-19(25)16-9-10-17-18(14-16)23-21(27)24(20(17)26)13-11-15-7-5-4-6-8-15/h7,9-10,14H,2-6,8,11-13H2,1H3,(H,22,25)(H,23,27)