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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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