N-[3-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(2-furylmethylsulfanyl)ethylamino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[2-(2-furanylmethylthio)ethylamino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[2-(2-furfurylthio)ethylamino]-3-keto-propyl]-4-nitro-benzamide Formula: C17H19N3O5S MolecularWeight: 377.41486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCCNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CSCCNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c21-16(18-9-11-26-12-15-2-1-10-25-15)7-8-19-17(22)13-3-5-14(6-4-13)20(23)24/h1-6,10H,7-9,11-12H2,(H,18,21)(H,19,22)