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

Systemtic Name: N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[[4-[(3-methyl-1-piperidyl)methyl]phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[4-[(3-methyl-1-piperidinyl)methyl]phenyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[4-[(3-methylpiperidino)methyl]benzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CC1CCCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C26H30N4O2S/c1-3-12-30-25(32)22-11-10-21(14-23(22)28-26(30)33)24(31)27-15-19-6-8-20(9-7-19)17-29-13-4-5-18(2)16-29/h3,6-11,14,18H,1,4-5,12-13,15-17H2,2H3,(H,27,31)(H,28,33)