methyl 3-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[3-[3-methyl-4-(m-tolyl)piperazin-1-yl]propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[3-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[3-[3-methyl-4-(m-tolyl)piperazino]propyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H30N4O3S MolecularWeight: 466.5957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)CCCN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)CCCN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

InChI

InChI=1S/C25H30N4O3S/c1-17-6-4-7-20(14-17)28-13-12-27(16-18(28)2)10-5-11-29-23(30)21-9-8-19(24(31)32-3)15-22(21)26-25(29)33/h4,6-9,14-15,18H,5,10-13,16H2,1-3H3,(H,26,33)