methyl 3-chloranyl-6-[[(3-methoxyphenyl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(3-methoxyphenyl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(3-methoxybenzoyl)amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[(3-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(3-methoxybenzoyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(m-anisoylamino)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H16ClN3O4S2 MolecularWeight: 449.93104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H16ClN3O4S2/c1-26-12-5-3-4-10(8-12)17(24)22-23-19(28)21-11-6-7-13-14(9-11)29-16(15(13)20)18(25)27-2/h3-9H,1-2H3,(H,22,24)(H2,21,23,28)