2-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S2/c1-2-29-14-9-8-11(10-13(14)24(27)28)18(26)22-20(30)23-19-16(17(21)25)12-6-4-3-5-7-15(12)31-19/h8-10H,2-7H2,1H3,(H2,21,25)(H2,22,23,26,30)