N-[4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C23H21N5O5S2 MolecularWeight: 511.57334

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O5S2/c29-21(15-3-8-18(19(14-15)28(31)32)27-9-11-33-12-10-27)26-23(34)25-17-6-4-16(5-7-17)24-22(30)20-2-1-13-35-20/h1-8,13-14H,9-12H2,(H,24,30)(H2,25,26,29,34)