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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCCCCC4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCCCCC4)NC1=S

InChI

InChI=1S/C23H26N4O2S/c1-2-27-22(29)17-12-11-16(15-19(17)25-23(27)30)21(28)24-18-9-5-6-10-20(18)26-13-7-3-4-8-14-26/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H,24,28)(H,25,30)