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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[(phenylmethyl)carbamoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(benzylcarbamoylamino)-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(benzylcarbamoylamino)-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(benzylcarbamoylamino)-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide Formula: C23H19ClN4O2S MolecularWeight: 450.94056

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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)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H19ClN4O2S/c1-14-6-5-9-17(24)20(14)27-21(29)16-10-11-18-19(12-16)31-23(26-18)28-22(30)25-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,27,29)(H2,25,26,28,30)