N-[(S)-cyclopropyl(phenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-(methylthio)-3-nitro-benzamide Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC(C2CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N[C@@H](C2CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O3S/c1-24-16-10-9-14(11-15(16)20(22)23)18(21)19-17(13-7-8-13)12-5-3-2-4-6-12/h2-6,9-11,13,17H,7-8H2,1H3,(H,19,21)/t17-/m1/s1