4-[3-[(4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl]sulfanyl-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[3-[(4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl]sulfanyl-N-oxidanyl-benzeneamine oxide Openeye Name: 4-[2-benzyl-3-[[3-methyl-1-(phenylcarbamoyl)butyl]amino]-3-oxo-propyl]sulfanyl-N-hydroxy-benzeneamine oxide CAS Name: 4-[[3-[(1-anilino-4-methyl-1-oxopentan-2-yl)amino]-3-oxo-2-(phenylmethyl)propyl]thio]-N-hydroxybenzeneamine oxide IUPAC Name: 4-[3-[(1-anilino-4-methyl-1-oxopentan-2-yl)amino]-2-benzyl-3-oxopropyl]sulfanyl-N-hydroxybenzeneamine oxide Traditional Name: 4-[[2-benzyl-3-keto-3-[[3-methyl-1-(phenylcarbamoyl)butyl]amino]propyl]thio]-N-hydroxy-benzeneamine oxide Formula: C28H33N3O4S MolecularWeight: 507.64432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)[NH+](O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)[NH+](O)[O-]

InChI

InChI=1S/C28H33N3O4S/c1-20(2)17-26(28(33)29-23-11-7-4-8-12-23)30-27(32)22(18-21-9-5-3-6-10-21)19-36-25-15-13-24(14-16-25)31(34)35/h3-16,20,22,26,31,34H,17-19H2,1-2H3,(H,29,33)(H,30,32)