butyl 2-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3,5-dichloro-4-methoxy-benzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(3,5-dichloro-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3,5-dichloro-4-methoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3,5-dichloro-4-methoxy-benzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H19Cl2N3O4S2 MolecularWeight: 512.42926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C(=C3)Cl)OC)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C(=C3)Cl)OC)Cl

InChI

InChI=1S/C21H19Cl2N3O4S2/c1-3-4-7-30-19(28)11-5-6-15-16(10-11)32-21(24-15)26-20(31)25-18(27)12-8-13(22)17(29-2)14(23)9-12/h5-6,8-10H,3-4,7H2,1-2H3,(H2,24,25,26,27,31)