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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-3-23(4-2)19(25)16-10-11-17-18(14-16)22-21(27)24(20(17)26)13-12-15-8-6-5-7-9-15/h8,10-11,14H,3-7,9,12-13H2,1-2H3,(H,22,27)