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

Systemtic Name: methyl 3-chloranyl-6-[[(3-methylphenyl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(3-methylbenzoyl)amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(3-methylbenzoyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(m-toluoylamino)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H16ClN3O3S2 MolecularWeight: 433.93164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H16ClN3O3S2/c1-10-4-3-5-11(8-10)17(24)22-23-19(27)21-12-6-7-13-14(9-12)28-16(15(13)20)18(25)26-2/h3-9H,1-2H3,(H,22,24)(H2,21,23,27)