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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]butanamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]butanamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]butyramide Formula: C19H27ClN4O2S MolecularWeight: 410.96128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O2S/c1-3-5-17(25)22-19(27)21-14-7-8-16(15(20)13-14)23-9-11-24(12-10-23)18(26)6-4-2/h7-8,13H,3-6,9-12H2,1-2H3,(H2,21,22,25,27)