[6-bromanyl-7-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid

Systemtic Name: [6-bromanyl-7-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Openeye Name: [6-bromo-7-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid CAS Name: [6-bromo-7-[oxo-(2,4,6-trimethylanilino)methyl]-1,3-benzothiazol-2-yl]carbamic acid IUPAC Name: [6-bromo-7-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Traditional Name: [6-bromo-7-(mesitylcarbamoyl)-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(=C1)C)NC(=O)C2=C(C=CC3=C2SC(=N3)NC(=O)O)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C=CC3=C2SC(=N3)NC(=O)O)Br)C

InChI

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