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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O)C(=O)OC)C4=CC=CC=C4

InChI

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