N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(4-pivaloylpiperazino)phenyl]thiocarbamoyl]valeramide Formula: C21H32N4O2S MolecularWeight: 404.56938

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c1-5-6-7-18(26)23-20(28)22-16-8-10-17(11-9-16)24-12-14-25(15-13-24)19(27)21(2,3)4/h8-11H,5-7,12-15H2,1-4H3,(H2,22,23,26,28)