2-[3-(azepin-1-yl)propylcarbamoylamino]-N-(2-chloranyl-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[3-(azepin-1-yl)propylcarbamoylamino]-N-(2-chloranyl-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[3-(azepin-1-yl)propylcarbamoylamino]-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[[3-(1-azepinyl)propylamino]-oxomethyl]amino]-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[3-(azepin-1-yl)propylcarbamoylamino]-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[3-(azepin-1-yl)propylcarbamoylamino]-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide Formula: C25H24ClN5O2S MolecularWeight: 494.00836

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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)NCCCN4C=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCCN4C=CC=CC=C4

InChI

InChI=1S/C25H24ClN5O2S/c1-17-8-6-9-19(26)22(17)29-23(32)18-10-11-20-21(16-18)34-25(28-20)30-24(33)27-12-7-15-31-13-4-2-3-5-14-31/h2-6,8-11,13-14,16H,7,12,15H2,1H3,(H,29,32)(H2,27,28,30,33)