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

Systemtic Name: methyl 3-chloranyl-6-[[(2-methyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(2-methyl-3-nitro-benzoyl)amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[(2-methyl-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(2-methyl-3-nitrobenzoyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(2-methyl-3-nitro-benzoyl)amino]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H15ClN4O5S2 MolecularWeight: 478.9292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H15ClN4O5S2/c1-9-11(4-3-5-13(9)24(27)28)17(25)22-23-19(30)21-10-6-7-12-14(8-10)31-16(15(12)20)18(26)29-2/h3-8H,1-2H3,(H,22,25)(H2,21,23,30)