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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC(C)C

InChI

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