N-[[3-chloranyl-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[3-chloranyl-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-chloro-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-chloro-4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]valeramide Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3S/c1-2-3-6-19(27)24-21(30)23-15-7-8-17(16(22)14-15)25-9-11-26(12-10-25)20(28)18-5-4-13-29-18/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3,(H2,23,24,27,30)