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

Systemtic Name: methyl 3-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C25H25BrN4O4S MolecularWeight: 557.4594

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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=C(C=C4)Br

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H25BrN4O4S/c1-29-11-13-30(14-12-29)20-8-5-17(24(32)33-2)15-19(20)27-25(35)28-23(31)22-10-9-21(34-22)16-3-6-18(26)7-4-16/h3-10,15H,11-14H2,1-2H3,(H2,27,28,31,35)