4-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(p-anisylamino)ethyl]thio]-3-nitro-benzamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-25-13-5-2-11(3-6-13)9-19-16(21)10-26-15-7-4-12(17(18)22)8-14(15)20(23)24/h2-8H,9-10H2,1H3,(H2,18,22)(H,19,21)