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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(3-imidazol-1-ylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(3-imidazol-1-ylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(3-imidazol-1-ylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(3-imidazol-1-ylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C22H21ClN6O2S MolecularWeight: 468.95914

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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=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN6O2S/c1-14-4-2-5-16(23)19(14)27-20(30)15-6-7-17-18(12-15)32-22(26-17)28-21(31)25-8-3-10-29-11-9-24-13-29/h2,4-7,9,11-13H,3,8,10H2,1H3,(H,27,30)(H2,25,26,28,31)