N-(2-chloranyl-6-methyl-phenyl)-2-[[1-(phenylmethyl)piperidin-4-yl]carbamoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[[1-(phenylmethyl)piperidin-4-yl]carbamoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(1-benzyl-4-piperidyl)carbamoylamino]-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo-[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(1-benzylpiperidin-4-yl)carbamoylamino]-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(1-benzyl-4-piperidyl)carbamoylamino]-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide Formula: C28H28ClN5O2S MolecularWeight: 534.07222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28ClN5O2S/c1-18-6-5-9-22(29)25(18)32-26(35)20-10-11-23-24(16-20)37-28(31-23)33-27(36)30-21-12-14-34(15-13-21)17-19-7-3-2-4-8-19/h2-11,16,21H,12-15,17H2,1H3,(H,32,35)(H2,30,31,33,36)