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

Systemtic Name: methyl 2-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-chloro-4-fluoro-benzyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H25ClFN3O2S2 MolecularWeight: 518.066303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H25ClFN3O2S2/c1-16-21(17-6-4-3-5-7-17)22(24(31)32-2)23(34-16)28-25(33)30-12-10-29(11-13-30)15-18-8-9-19(27)14-20(18)26/h3-9,14H,10-13,15H2,1-2H3,(H,28,33)