ethyl 2-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-methoxy-benzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H16BrN3O4S2 MolecularWeight: 494.38204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H16BrN3O4S2/c1-3-27-17(25)10-4-6-13-15(8-10)29-19(21-13)23-18(28)22-16(24)12-9-11(20)5-7-14(12)26-2/h4-9H,3H2,1-2H3,(H2,21,22,23,24,28)