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

Systemtic Name: [6-[(2-bromanyl-3,4,6-trimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Openeye Name: [6-[(2-bromo-3,4,6-trimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid CAS Name: [6-[(2-bromo-3,4,6-trimethylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid IUPAC Name: [6-[(2-bromo-3,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Traditional Name: [6-[(2-bromo-3,4,6-trimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)Br)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)Br)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)O)C

InChI

InChI=1S/C18H16BrN3O3S/c1-8-6-9(2)15(14(19)10(8)3)21-16(23)11-4-5-12-13(7-11)26-17(20-12)22-18(24)25/h4-7H,1-3H3,(H,20,22)(H,21,23)(H,24,25)