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

Systemtic Name: methyl 2-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(2,4-dichlorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(2,4-dichlorobenzyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H21Cl2N3O2S2 MolecularWeight: 458.42494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2N3O2S2/c1-12-9-15(18(25)26-2)17(28-12)22-19(27)24-7-5-23(6-8-24)11-13-3-4-14(20)10-16(13)21/h3-4,9-10H,5-8,11H2,1-2H3,(H,22,27)