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

Systemtic Name: methyl 2-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-chloro-4-fluoro-benzyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H21ClFN3O2S2 MolecularWeight: 441.970343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN3O2S2/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(21)10-16(13)20/h3-4,9-10H,5-8,11H2,1-2H3,(H,22,27)