N-methyl-4-oxidanylidene-N-[(4-piperidin-1-ylphenyl)methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-N-[(4-piperidin-1-ylphenyl)methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-methyl-4-oxo-N-[[4-(1-piperidyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-methyl-4-oxo-N-[[4-(1-piperidinyl)phenyl]methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-methyl-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-methyl-N-(4-piperidinobenzyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C25H28N4O2S/c1-3-13-29-24(31)21-12-9-19(16-22(21)26-25(29)32)23(30)27(2)17-18-7-10-20(11-8-18)28-14-5-4-6-15-28/h3,7-12,16H,1,4-6,13-15,17H2,2H3,(H,26,32)