N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H20N4O3S2/c26-19(18-4-2-14-30-18)23-21(29)22-15-5-7-16(8-6-15)24-9-11-25(12-10-24)20(27)17-3-1-13-28-17/h1-8,13-14H,9-12H2,(H2,22,23,26,29)