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

Systemtic Name: ethyl 2-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H15Cl2N3O4S2 MolecularWeight: 484.3761

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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=CC(=C(C(=C3)Cl)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H15Cl2N3O4S2/c1-3-28-17(26)9-4-5-13-14(8-9)30-19(22-13)24-18(29)23-16(25)10-6-11(20)15(27-2)12(21)7-10/h4-8H,3H2,1-2H3,(H2,22,23,24,25,29)