4-methylsulfanyl-2-[[2-(phenylmethyl)-3-piperazin-1-ylsulfonyl-propanoyl]amino]butanamide

Systemtic Name: 4-methylsulfanyl-2-[[2-(phenylmethyl)-3-piperazin-1-ylsulfonyl-propanoyl]amino]butanamide Openeye Name: 2-[(2-benzyl-3-piperazin-1-ylsulfonyl-propanoyl)amino]-4-methylsulfanyl-butanamide CAS Name: 4-(methylthio)-2-[[1-oxo-2-(phenylmethyl)-3-(1-piperazinylsulfonyl)propyl]amino]butanamide IUPAC Name: 2-[(2-benzyl-3-piperazin-1-ylsulfonylpropanoyl)amino]-4-methylsulfanylbutanamide Traditional Name: 2-[(2-benzyl-3-piperazinosulfonyl-propanoyl)amino]-4-(methylthio)butyramide Formula: C19H30N4O4S2 MolecularWeight: 442.5959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCNCC2

Isomeric SMILES

CSCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCNCC2

InChI

InChI=1S/C19H30N4O4S2/c1-28-12-7-17(18(20)24)22-19(25)16(13-15-5-3-2-4-6-15)14-29(26,27)23-10-8-21-9-11-23/h2-6,16-17,21H,7-14H2,1H3,(H2,20,24)(H,22,25)