propyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[4-(4-methylpiperidino)-3-nitro-benzoyl]thiocarbamoylamino]-2-morpholino-benzoic acid propyl ester Formula: C28H35N5O6S MolecularWeight: 569.6724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C28H35N5O6S/c1-3-14-39-27(35)22-18-21(5-7-23(22)32-12-15-38-16-13-32)29-28(40)30-26(34)20-4-6-24(25(17-20)33(36)37)31-10-8-19(2)9-11-31/h4-7,17-19H,3,8-16H2,1-2H3,(H2,29,30,34,40)