4-oxidanylidene-N-(3-propan-2-ylphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(3-propan-2-ylphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(3-isopropylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-(3-propan-2-ylphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-(3-propan-2-ylphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-m-cumenyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C21H21N3O2S/c1-4-10-24-20(26)17-9-8-15(12-18(17)23-21(24)27)19(25)22-16-7-5-6-14(11-16)13(2)3/h4-9,11-13H,1,10H2,2-3H3,(H,22,25)(H,23,27)