N-butyl-N-methyl-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-butyl-N-methyl-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-butyl-N-methyl-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-butyl-N-methyl-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-butyl-N-methyl-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-butyl-4-keto-N-methyl-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3

Isomeric SMILES

CCCCN(C)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-3-4-13-24(2)20(26)17-10-11-18-19(15-17)23-22(28)25(21(18)27)14-12-16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3,(H,23,28)