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

Systemtic Name: N-cycloheptyl-3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-cycloheptyl-3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-cycloheptyl-3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-cycloheptyl-3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-cycloheptyl-3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H31N3O2S MolecularWeight: 425.58684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CCCCC4

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CCCCC4

InChI

InChI=1S/C24H31N3O2S/c28-22(25-19-10-6-1-2-7-11-19)18-12-13-20-21(16-18)26-24(30)27(23(20)29)15-14-17-8-4-3-5-9-17/h8,12-13,16,19H,1-7,9-11,14-15H2,(H,25,28)(H,26,30)