methyl 2-[[4-(3-methoxyphenyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(3-methoxyphenyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(3-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H25N3O3S2 MolecularWeight: 467.6036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H25N3O3S2/c1-29-19-10-6-9-18(15-19)26-11-13-27(14-12-26)24(31)25-22-20(23(28)30-2)16-21(32-22)17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,25,31)