[6-[(2-bromanyl-4,6-dimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid

Systemtic Name: [6-[(2-bromanyl-4,6-dimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Openeye Name: [6-[(2-bromo-4,6-dimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid CAS Name: [6-[(2-bromo-4,6-dimethylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid IUPAC Name: [6-[(2-bromo-4,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Traditional Name: [6-[(2-bromo-4,6-dimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O3S/c1-8-5-9(2)14(11(18)6-8)20-15(22)10-3-4-12-13(7-10)25-16(19-12)21-17(23)24/h3-7H,1-2H3,(H,19,21)(H,20,22)(H,23,24)