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

Systemtic Name: 3-methyl-N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c1-15(2)13-19(26)23-21(28)22-17-5-7-18(8-6-17)24-9-11-25(12-10-24)20(27)14-16(3)4/h5-8,15-16H,9-14H2,1-4H3,(H2,22,23,26,28)