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

Systemtic Name: [6-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Openeye Name: [6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid CAS Name: [6-[(2-chloro-6-methylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid IUPAC Name: [6-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Traditional Name: [6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O3S/c1-8-3-2-4-10(17)13(8)19-14(21)9-5-6-11-12(7-9)24-15(18-11)20-16(22)23/h2-7H,1H3,(H,18,20)(H,19,21)(H,22,23)