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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(2-piperazin-1-ylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(2-piperazin-1-ylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo-[2-(1-piperazinyl)ethylamino]methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(2-piperazin-1-ylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(2-piperazinoethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C22H25ClN6O2S MolecularWeight: 472.9909

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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)NCCN4CCNCC4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCN4CCNCC4

InChI

InChI=1S/C22H25ClN6O2S/c1-14-3-2-4-16(23)19(14)27-20(30)15-5-6-17-18(13-15)32-22(26-17)28-21(31)25-9-12-29-10-7-24-8-11-29/h2-6,13,24H,7-12H2,1H3,(H,27,30)(H2,25,26,28,31)