N-(1-diazanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)-4-methylsulfanyl-2-[(phenylmethyl)sulfonylamino]butanamide

Systemtic Name: N-(1-diazanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)-4-methylsulfanyl-2-[(phenylmethyl)sulfonylamino]butanamide Openeye Name: 2-(benzylsulfonylamino)-N-[1-(hydrazinecarbonyl)-3-methylsulfanyl-propyl]-4-methylsulfanyl-butanamide CAS Name: N-[1-hydrazinyl-4-(methylthio)-1-oxobutan-2-yl]-4-(methylthio)-2-[(phenylmethyl)sulfonylamino]butanamide IUPAC Name: 2-(benzylsulfonylamino)-N-(1-hydrazinyl-4-methylsulfanyl-1-oxobutan-2-yl)-4-methylsulfanylbutanamide Traditional Name: 2-(benzylsulfonylamino)-N-[1-carbazoyl-3-(methylthio)propyl]-4-(methylthio)butyramide Formula: C17H28N4O4S3 MolecularWeight: 448.62362

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NN)NC(=O)C(CCSC)NS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)NN)NC(=O)C(CCSC)NS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C17H28N4O4S3/c1-26-10-8-14(17(23)20-18)19-16(22)15(9-11-27-2)21-28(24,25)12-13-6-4-3-5-7-13/h3-7,14-15,21H,8-12,18H2,1-2H3,(H,19,22)(H,20,23)