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

Systemtic Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[(1-methylimidazol-2-yl)-phenyl-methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(1-methyl-2-imidazolyl)-phenylmethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C23H21N5O2S/c1-3-12-28-22(30)17-10-9-16(14-18(17)25-23(28)31)21(29)26-19(15-7-5-4-6-8-15)20-24-11-13-27(20)2/h3-11,13-14,19H,1,12H2,2H3,(H,25,31)(H,26,29)