N-(2-acetamidoethyl)-3-nitro-4-phenylsulfanyl-benzamide

Systemtic Name: N-(2-acetamidoethyl)-3-nitro-4-phenylsulfanyl-benzamide Openeye Name: N-(2-acetamidoethyl)-3-nitro-4-phenylsulfanyl-benzamide CAS Name: N-(2-acetamidoethyl)-3-nitro-4-(phenylthio)benzamide IUPAC Name: N-(2-acetamidoethyl)-3-nitro-4-phenylsulfanylbenzamide Traditional Name: N-(2-acetamidoethyl)-3-nitro-4-(phenylthio)benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

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