N-(2-benzamidoethyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(2-benzamidoethyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(2-benzamidoethyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(2-benzamidoethyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(2-benzamidoethyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(2-benzamidoethyl)-4-(methylthio)-3-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCCNC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCCNC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-25-15-8-7-13(11-14(15)20(23)24)17(22)19-10-9-18-16(21)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,22)