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

Systemtic Name: methyl 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(3-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(3-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(3-chlorobenzyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H26ClN3O2S2 MolecularWeight: 500.07584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O2S2/c1-17-21(19-8-4-3-5-9-19)22(24(30)31-2)23(33-17)27-25(32)29-13-11-28(12-14-29)16-18-7-6-10-20(26)15-18/h3-10,15H,11-14,16H2,1-2H3,(H,27,32)