N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[2-methyl-4-(4-methylpiperazino)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H27N5O2S MolecularWeight: 449.56848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C24H27N5O2S/c1-4-9-29-23(31)19-7-5-17(15-21(19)26-24(29)32)22(30)25-20-8-6-18(14-16(20)2)28-12-10-27(3)11-13-28/h4-8,14-15H,1,9-13H2,2-3H3,(H,25,30)(H,26,32)