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

Systemtic Name: methyl 3-[[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 3-[[4-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[4-(4-bromophenyl)-5-methyl-2-thiazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C24H24BrN3O2S2 MolecularWeight: 530.50026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN3O2S2/c1-15-21(16-6-8-19(25)9-7-16)27-22(32-15)17-10-12-28(13-11-17)24(31)26-20-5-3-4-18(14-20)23(29)30-2/h3-9,14,17H,10-13H2,1-2H3,(H,26,31)