N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-methyl-4-(4-methylpiperazino)phenyl]propionamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H27N5O2S/c1-16-15-17(27-13-11-26(2)12-14-27)7-8-19(16)24-21(29)9-10-28-22(30)18-5-3-4-6-20(18)25-23(28)31/h3-8,15H,9-14H2,1-2H3,(H,24,29)(H,25,31)