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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[2-methyl-4-(4-methylpiperazino)phenyl]-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2S/c1-18-16-21(31-14-12-30(2)13-15-31)9-11-23(18)28-25(33)19-8-10-22-24(17-19)29-27(35)32(26(22)34)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H,28,33)(H,29,35)