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

Systemtic Name: N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]valeramide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C21H26N4O3S/c1-2-3-6-19(26)23-21(29)22-16-7-9-17(10-8-16)24-11-13-25(14-12-24)20(27)18-5-4-15-28-18/h4-5,7-10,15H,2-3,6,11-14H2,1H3,(H2,22,23,26,29)