methyl 3-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]amino]-4-methyl-thiophene-2-carboxylate CAS Name: 3-[[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]amino]-4-methylthiophene-2-carboxylate Traditional Name: 3-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]amino]-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)OC

InChI

InChI=1S/C22H25N5O4S2/c1-13-11-33-19(21(28)31-4)18(13)25-22(32)27-7-5-26(6-8-27)20-14-9-16(29-2)17(30-3)10-15(14)23-12-24-20/h9-12H,5-8H2,1-4H3,(H,25,32)