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

Systemtic Name: methyl 3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[2-(4-methylpiperidino)-5-nitro-benzoyl]thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C26H31N5O6S MolecularWeight: 541.61924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)N4CCOCC4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)N4CCOCC4

InChI

InChI=1S/C26H31N5O6S/c1-17-7-9-29(10-8-17)22-6-4-19(31(34)35)16-20(22)24(32)28-26(38)27-21-15-18(25(33)36-2)3-5-23(21)30-11-13-37-14-12-30/h3-6,15-17H,7-14H2,1-2H3,(H2,27,28,32,38)