4-[[6-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoylamino]piperidine-1-carboxylic acid

Systemtic Name: 4-[[6-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoylamino]piperidine-1-carboxylic acid Openeye Name: 4-[[6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoylamino]piperidine-1-carboxylic acid CAS Name: 4-[[[[6-[(2-chloro-6-methylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[6-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoylamino]piperidine-1-carboxylic acid Traditional Name: 4-[[6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoylamino]piperidine-1-carboxylic acid Formula: C22H22ClN5O4S MolecularWeight: 487.95918

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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)NC4CCN(CC4)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4CCN(CC4)C(=O)O

InChI

InChI=1S/C22H22ClN5O4S/c1-12-3-2-4-15(23)18(12)26-19(29)13-5-6-16-17(11-13)33-21(25-16)27-20(30)24-14-7-9-28(10-8-14)22(31)32/h2-6,11,14H,7-10H2,1H3,(H,26,29)(H,31,32)(H2,24,25,27,30)