methyl 3-[[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-[4-(4-bromophenyl)-5-methyl-2-thiazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H22BrN3O2S3 MolecularWeight: 536.52798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2CCN(CC2)C(=S)NC3=C(SC=C3)C(=O)OC)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(N=C(S1)C2CCN(CC2)C(=S)NC3=C(SC=C3)C(=O)OC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O2S3/c1-13-18(14-3-5-16(23)6-4-14)25-20(31-13)15-7-10-26(11-8-15)22(29)24-17-9-12-30-19(17)21(27)28-2/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,24,29)