3-(3-methoxypropyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-[2-[4-(m-tolyl)piperazino]ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H33N5O3S MolecularWeight: 495.63692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O3S/c1-19-5-3-6-21(17-19)30-14-12-29(13-15-30)11-9-27-24(32)20-7-8-22-23(18-20)28-26(35)31(25(22)33)10-4-16-34-2/h3,5-8,17-18H,4,9-16H2,1-2H3,(H,27,32)(H,28,35)