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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[[2-[(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-[(4-phenylpiperazino)methyl]benzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCN(CC4)C5=CC=CC=C5)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCN(CC4)C5=CC=CC=C5)NC1=S

InChI

InChI=1S/C28H29N5O2S/c1-31-27(35)24-12-11-20(17-25(24)30-28(31)36)26(34)29-18-21-7-5-6-8-22(21)19-32-13-15-33(16-14-32)23-9-3-2-4-10-23/h2-12,17H,13-16,18-19H2,1H3,(H,29,34)(H,30,36)