propan-2-yl 2-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(3,4-dichlorobenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(3,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3,4-dichlorobenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3,4-dichlorobenzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C19H15Cl2N3O3S2 MolecularWeight: 468.3767

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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)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)Cl

InChI

InChI=1S/C19H15Cl2N3O3S2/c1-9(2)27-17(26)11-4-6-14-15(8-11)29-19(22-14)24-18(28)23-16(25)10-3-5-12(20)13(21)7-10/h3-9H,1-2H3,(H2,22,23,24,25,28)