2-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-chloro-3-nitro-benzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H15ClN4O4S2 MolecularWeight: 438.9084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C17H15ClN4O4S2/c18-10-6-5-8(7-11(10)22(25)26)15(24)20-17(27)21-16-13(14(19)23)9-3-1-2-4-12(9)28-16/h5-7H,1-4H2,(H2,19,23)(H2,20,21,24,27)