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

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]valeramide Formula: C20H29ClN4O2S MolecularWeight: 424.98786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN4O2S/c1-4-5-6-18(26)23-20(28)22-15-7-8-17(16(21)13-15)24-9-11-25(12-10-24)19(27)14(2)3/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,22,23,26,28)