2-(4-nitrophenyl)sulfanyl-N-[[4-(phenylmethyl)morpholin-2-yl]methyl]propanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[[4-(phenylmethyl)morpholin-2-yl]methyl]propanamide Openeye Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[[4-(phenylmethyl)-2-morpholinyl]methyl]propanamide IUPAC Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CN(CCO1)CC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1CN(CCO1)CC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-16(29-20-9-7-18(8-10-20)24(26)27)21(25)22-13-19-15-23(11-12-28-19)14-17-5-3-2-4-6-17/h2-10,16,19H,11-15H2,1H3,(H,22,25)