N-(2-chloranyl-6-methyl-phenyl)-2-(2-phenylsulfanylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(2-phenylsulfanylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(2-phenylsulfanylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo-[2-(phenylthio)ethylamino]methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(2-phenylsulfanylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[2-(phenylthio)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C24H21ClN4O2S2 MolecularWeight: 497.03214

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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)NCCSC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCSC4=CC=CC=C4

InChI

InChI=1S/C24H21ClN4O2S2/c1-15-6-5-9-18(25)21(15)28-22(30)16-10-11-19-20(14-16)33-24(27-19)29-23(31)26-12-13-32-17-7-3-2-4-8-17/h2-11,14H,12-13H2,1H3,(H,28,30)(H2,26,27,29,31)