methyl 4-(4-methylpiperazin-1-yl)-3-[[5-(2-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[5-(2-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[5-(2-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[[[5-(2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[5-(2-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[[5-(2-nitrophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C25H25N5O6S MolecularWeight: 523.5609

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O6S/c1-28-11-13-29(14-12-28)20-8-7-16(24(32)35-2)15-18(20)26-25(37)27-23(31)22-10-9-21(36-22)17-5-3-4-6-19(17)30(33)34/h3-10,15H,11-14H2,1-2H3,(H2,26,27,31,37)