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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[[1-(phenylmethyl)pyrrolidin-3-yl]carbamoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(1-benzylpyrrolidin-3-yl)carbamoylamino]-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(1-benzylpyrrolidin-3-yl)carbamoylamino]-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(1-benzylpyrrolidin-3-yl)carbamoylamino]-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide Formula: C27H26ClN5O2S MolecularWeight: 520.04564

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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(C4)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(C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26ClN5O2S/c1-17-6-5-9-21(28)24(17)31-25(34)19-10-11-22-23(14-19)36-27(30-22)32-26(35)29-20-12-13-33(16-20)15-18-7-3-2-4-8-18/h2-11,14,20H,12-13,15-16H2,1H3,(H,31,34)(H2,29,30,32,35)