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

Systemtic Name: methyl 2-[[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H15ClN4O5S3 MolecularWeight: 498.9835

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C18H15ClN4O5S3/c1-3-9-7-11(17(25)28-2)16(30-9)20-18(29)22-21-15(24)14-13(19)10-5-4-8(23(26)27)6-12(10)31-14/h4-7H,3H2,1-2H3,(H,21,24)(H2,20,22,29)