4-[3-chloranyl-5-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperazine-2-carboxylic acid

Systemtic Name: 4-[3-chloranyl-5-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperazine-2-carboxylic acid Openeye Name: 4-[3-chloro-5-[[4-(3,4-dimethylphenyl)thiazol-2-yl]carbamoyl]-2-pyridyl]piperazine-2-carboxylic acid CAS Name: 4-[3-chloro-5-[[[4-(3,4-dimethylphenyl)-2-thiazolyl]amino]-oxomethyl]-2-pyridinyl]-2-piperazinecarboxylic acid IUPAC Name: 4-[3-chloro-5-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperazine-2-carboxylic acid Traditional Name: 4-[3-chloro-5-[[4-(3,4-dimethylphenyl)thiazol-2-yl]carbamoyl]-2-pyridyl]piperazine-2-carboxylic acid Formula: C22H22ClN5O3S MolecularWeight: 471.95978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(N=C3)N4CCNC(C4)C(=O)O)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(N=C3)N4CCNC(C4)C(=O)O)Cl)C

InChI

InChI=1S/C22H22ClN5O3S/c1-12-3-4-14(7-13(12)2)18-11-32-22(26-18)27-20(29)15-8-16(23)19(25-9-15)28-6-5-24-17(10-28)21(30)31/h3-4,7-9,11,17,24H,5-6,10H2,1-2H3,(H,30,31)(H,26,27,29)