N-[4-methyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-2-(sulfanylmethyl)hexanamide

Systemtic Name: N-[4-methyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-2-(sulfanylmethyl)hexanamide Openeye Name: N-[3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]-2-(sulfanylmethyl)hexanamide CAS Name: 2-(mercaptomethyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]hexanamide IUPAC Name: N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-2-(sulfanylmethyl)hexanamide Traditional Name: 2-(mercaptomethyl)-N-[3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]hexanamide Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CS)C(=O)NC(CC(C)C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CS)C(=O)NC(CC(C)C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C19H29N3O4S/c1-4-5-6-14(12-27)18(23)21-17(11-13(2)3)19(24)20-15-7-9-16(10-8-15)22(25)26/h7-10,13-14,17,27H,4-6,11-12H2,1-3H3,(H,20,24)(H,21,23)