N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[3-methyl-4-(4-methylpiperazino)phenyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C21H26N4O3S/c1-15-14-17(4-9-20(15)24-12-10-23(3)11-13-24)22-21(26)16(2)29-19-7-5-18(6-8-19)25(27)28/h4-9,14,16H,10-13H2,1-3H3,(H,22,26)