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

Systemtic Name: N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[[4-(m-tolylmethoxy)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[4-(3-methylbenzyl)oxybenzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C27H25N3O3S/c1-3-13-30-26(32)23-12-9-21(15-24(23)29-27(30)34)25(31)28-16-19-7-10-22(11-8-19)33-17-20-6-4-5-18(2)14-20/h3-12,14-15H,1,13,16-17H2,2H3,(H,28,31)(H,29,34)