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

Systemtic Name: ethyl 2-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(3-chloro-4-methyl-benzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-4-methylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-chloro-4-methyl-benzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H16ClN3O3S2 MolecularWeight: 433.93164

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O3S2/c1-3-26-17(25)12-6-7-14-15(9-12)28-19(21-14)23-18(27)22-16(24)11-5-4-10(2)13(20)8-11/h4-9H,3H2,1-2H3,(H2,21,22,23,24,27)