methyl 3-[[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[4-(3-bromophenyl)thiazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-[4-(3-bromophenyl)-2-thiazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-[4-(3-bromophenyl)thiazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H20BrN3O2S3 MolecularWeight: 522.5014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H20BrN3O2S3/c1-27-20(26)18-16(7-10-29-18)24-21(28)25-8-5-13(6-9-25)19-23-17(12-30-19)14-3-2-4-15(22)11-14/h2-4,7,10-13H,5-6,8-9H2,1H3,(H,24,28)