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

Systemtic Name: methyl 2-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H13Cl2N3O4S2 MolecularWeight: 470.34952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C18H13Cl2N3O4S2/c1-26-14-10(19)5-9(6-11(14)20)15(24)22-17(28)23-18-21-12-4-3-8(16(25)27-2)7-13(12)29-18/h3-7H,1-2H3,(H2,21,22,23,24,28)