methyl 2-[[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H17ClN4O5S3 MolecularWeight: 561.05288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H17ClN4O5S3/c1-33-22(30)16-11-14(9-12-5-3-2-4-6-12)35-21(16)25-23(34)27-26-20(29)19-18(24)15-8-7-13(28(31)32)10-17(15)36-19/h2-8,10-11H,9H2,1H3,(H,26,29)(H2,25,27,34)