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

Systemtic Name: [6-[(4-bromanyl-2-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Openeye Name: [6-[(4-bromo-2-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid CAS Name: [6-[(4-bromo-2-methylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid IUPAC Name: [6-[(4-bromo-2-methylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Traditional Name: [6-[(4-bromo-2-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Formula: C16H12BrN3O3S MolecularWeight: 406.25378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O3S/c1-8-6-10(17)3-5-11(8)18-14(21)9-2-4-12-13(7-9)24-15(19-12)20-16(22)23/h2-7H,1H3,(H,18,21)(H,19,20)(H,22,23)