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

Systemtic Name: [6-bromanyl-4-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Openeye Name: [6-bromo-4-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid CAS Name: [6-bromo-4-[oxo-(2,4,6-trimethylanilino)methyl]-1,3-benzothiazol-2-yl]carbamic acid IUPAC Name: [6-bromo-4-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Traditional Name: [6-bromo-4-(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=CC(=CC3=C2N=C(S3)NC(=O)O)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC(=CC3=C2N=C(S3)NC(=O)O)Br)C

InChI

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