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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[(diphenylmethyl)carbamoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(benzhydrylcarbamoylamino)-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[[(diphenylmethyl)amino]-oxomethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(benzhydrylcarbamoylamino)-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(benzhydrylcarbamoylamino)-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide Formula: C29H23ClN4O2S MolecularWeight: 527.03652

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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)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H23ClN4O2S/c1-18-9-8-14-22(30)25(18)32-27(35)21-15-16-23-24(17-21)37-29(31-23)34-28(36)33-26(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,26H,1H3,(H,32,35)(H2,31,33,34,36)