4-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]-3-nitro-N-phenethyl-benzamide

Systemtic Name: 4-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]-3-nitro-N-phenethyl-benzamide Openeye Name: 4-methylsulfanyl-N-[(5-methyl-2-thienyl)methyl]-3-nitro-N-phenethyl-benzamide CAS Name: 4-(methylthio)-N-[(5-methyl-2-thiophenyl)methyl]-3-nitro-N-phenethylbenzamide IUPAC Name: 4-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]-3-nitro-N-phenethylbenzamide Traditional Name: N-[(5-methyl-2-thienyl)methyl]-4-(methylthio)-3-nitro-N-phenethyl-benzamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O3S2/c1-16-8-10-19(29-16)15-23(13-12-17-6-4-3-5-7-17)22(25)18-9-11-21(28-2)20(14-18)24(26)27/h3-11,14H,12-13,15H2,1-2H3