N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide

Systemtic Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide CAS Name: N-[[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]butyramide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-4-5-18(25)22-20(27)21-16-6-8-17(9-7-16)23-10-12-24(13-11-23)19(26)14-15(2)3/h6-9,15H,4-5,10-14H2,1-3H3,(H2,21,22,25,27)