4-methyl-2-[(2-nitrophenyl)sulfanylamino]-N-(1-oxidanylidenehexan-2-yl)pentanamide

Systemtic Name: 4-methyl-2-[(2-nitrophenyl)sulfanylamino]-N-(1-oxidanylidenehexan-2-yl)pentanamide Openeye Name: N-(1-formylpentyl)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanamide CAS Name: 4-methyl-2-[[(2-nitrophenyl)thio]amino]-N-(1-oxohexan-2-yl)pentanamide IUPAC Name: 4-methyl-2-[(2-nitrophenyl)sulfanylamino]-N-(1-oxohexan-2-yl)pentanamide Traditional Name: N-(1-formylpentyl)-4-methyl-2-[[(2-nitrophenyl)thio]amino]valeramide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=O)NC(=O)C(CC(C)C)NSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCC(C=O)NC(=O)C(CC(C)C)NSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O4S/c1-4-5-8-14(12-22)19-18(23)15(11-13(2)3)20-26-17-10-7-6-9-16(17)21(24)25/h6-7,9-10,12-15,20H,4-5,8,11H2,1-3H3,(H,19,23)