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

Systemtic Name: 4-[2-[3-(3-methylphenoxy)propylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[3-(3-methylphenoxy)propylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[3-(3-methylphenoxy)propylamino]ethyl]thio]-3-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-13-4-2-5-15(10-13)27-9-3-8-21-18(23)12-28-17-7-6-14(19(20)24)11-16(17)22(25)26/h2,4-7,10-11H,3,8-9,12H2,1H3,(H2,20,24)(H,21,23)