methyl 2-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[4-(3-bromobenzyl)piperazino]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C19H23BrN4O3S MolecularWeight: 467.37992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br)C(=O)OC

InChI

InChI=1S/C19H23BrN4O3S/c1-13-17(18(26)27-2)28-19(21-13)22-16(25)12-24-8-6-23(7-9-24)11-14-4-3-5-15(20)10-14/h3-5,10H,6-9,11-12H2,1-2H3,(H,21,22,25)