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

Systemtic Name: N-[[3-chloranyl-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide CAS Name: N-[[3-chloro-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[3-chloro-4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]propionamide Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O3S/c1-2-17(25)22-19(28)21-13-5-6-15(14(20)12-13)23-7-9-24(10-8-23)18(26)16-4-3-11-27-16/h3-6,11-12H,2,7-10H2,1H3,(H2,21,22,25,28)