4-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide

Systemtic Name: 4-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide Openeye Name: 4-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide CAS Name: 4-methyl-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: 4-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide Traditional Name: 4-methyl-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]valeramide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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