(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-N-[4-(4-methylpiperazino)phenyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCN(CC2)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCN(CC2)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3S/c1-15(28-19-9-7-18(8-10-19)24(26)27)20(25)21-16-3-5-17(6-4-16)23-13-11-22(2)12-14-23/h3-10,15H,11-14H2,1-2H3,(H,21,25)/t15-/m0/s1