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

Systemtic Name: butyl 2-[[2,3-bis(chloranyl)phenyl]carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(2,3-dichlorobenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(2,3-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2,3-dichlorobenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2,3-dichlorobenzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C20H17Cl2N3O3S2 MolecularWeight: 482.40328

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3O3S2/c1-2-3-9-28-18(27)11-7-8-14-15(10-11)30-20(23-14)25-19(29)24-17(26)12-5-4-6-13(21)16(12)22/h4-8,10H,2-3,9H2,1H3,(H2,23,24,25,26,29)