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

Systemtic Name: propan-2-yl 2-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H17Cl2N3O4S2 MolecularWeight: 498.40268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3O4S2/c1-9(2)29-18(27)10-4-5-14-15(8-10)31-20(23-14)25-19(30)24-17(26)11-6-12(21)16(28-3)13(22)7-11/h4-9H,1-3H3,(H2,23,24,25,26,30)