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

Systemtic Name: 2-[[6-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[[6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoylamino]-2-phenyl-acetic acid CAS Name: 2-[[[[6-[(2-chloro-6-methylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[6-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoylamino]-2-phenylacetic acid Traditional Name: 2-[[6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoylamino]-2-phenyl-acetic acid Formula: C24H19ClN4O4S MolecularWeight: 494.95006

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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)NC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClN4O4S/c1-13-6-5-9-16(25)19(13)27-21(30)15-10-11-17-18(12-15)34-24(26-17)29-23(33)28-20(22(31)32)14-7-3-2-4-8-14/h2-12,20H,1H3,(H,27,30)(H,31,32)(H2,26,28,29,33)