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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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