N-[3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[(2-morpholino-5-nitro-benzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(2-morpholin-4-yl-5-nitrobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(2-morpholino-5-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)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

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