(E)-N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioyl-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioyl-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]-3-phenyl-acrylamide Formula: C24H25N5O3S MolecularWeight: 463.552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC(=O)C=CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC(=O)/C=C/C4=CC=CC=C4)OC

InChI

InChI=1S/C24H25N5O3S/c1-31-20-14-18-19(15-21(20)32-2)25-16-26-23(18)28-10-12-29(13-11-28)24(33)27-22(30)9-8-17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,27,30,33)/b9-8+