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

Systemtic Name: 4-[2-(dipropylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(dipropylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(dipropylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(dipropylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(dipropylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C15H21N3O4S MolecularWeight: 339.40994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C(=O)CSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O4S/c1-3-7-17(8-4-2)14(19)10-23-13-6-5-11(15(16)20)9-12(13)18(21)22/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,16,20)