(2R)-N-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-N-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-N-(4-methyl-1-piperazinyl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2R)-N-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-N-(4-methylpiperazino)-2-[(4-nitrophenyl)thio]propionamide Formula: C14H20N4O3S MolecularWeight: 324.3986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN1CCN(CC1)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NN1CCN(CC1)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O3S/c1-11(14(19)15-17-9-7-16(2)8-10-17)22-13-5-3-12(4-6-13)18(20)21/h3-6,11H,7-10H2,1-2H3,(H,15,19)/t11-/m1/s1