4-methylsulfanyl-2-[[2-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]butanamide

Systemtic Name: 4-methylsulfanyl-2-[[2-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]butanamide Openeye Name: 2-[[2-benzyl-3-(3-oxopiperazin-1-yl)sulfonyl-propanoyl]amino]-4-methylsulfanyl-butanamide CAS Name: 4-(methylthio)-2-[[1-oxo-2-[(3-oxo-1-piperazinyl)sulfonylmethyl]-3-phenylpropyl]amino]butanamide IUPAC Name: 2-[[2-benzyl-3-(3-oxopiperazin-1-yl)sulfonylpropanoyl]amino]-4-methylsulfanylbutanamide Traditional Name: 2-[[2-benzyl-3-(3-ketopiperazino)sulfonyl-propanoyl]amino]-4-(methylthio)butyramide Formula: C19H28N4O5S2 MolecularWeight: 456.57942

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CSCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C19H28N4O5S2/c1-29-10-7-16(18(20)25)22-19(26)15(11-14-5-3-2-4-6-14)13-30(27,28)23-9-8-21-17(24)12-23/h2-6,15-16H,7-13H2,1H3,(H2,20,25)(H,21,24)(H,22,26)