N-(4-nitrophenyl)-2-[(phenylmethyl)amino]-3-sulfanyl-propanamide

Systemtic Name: N-(4-nitrophenyl)-2-[(phenylmethyl)amino]-3-sulfanyl-propanamide Openeye Name: 2-(benzylamino)-N-(4-nitrophenyl)-3-sulfanyl-propanamide CAS Name: 3-mercapto-N-(4-nitrophenyl)-2-[(phenylmethyl)amino]propanamide IUPAC Name: 2-(benzylamino)-N-(4-nitrophenyl)-3-sulfanylpropanamide Traditional Name: 2-(benzylamino)-3-mercapto-N-(4-nitrophenyl)propionamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CS)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(CS)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3S/c20-16(18-13-6-8-14(9-7-13)19(21)22)15(11-23)17-10-12-4-2-1-3-5-12/h1-9,15,17,23H,10-11H2,(H,18,20)