4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-nitro-benzamide

Systemtic Name: 4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-nitro-benzamide Openeye Name: 4-methylsulfanyl-N-[2-[4-(2-methylthiazol-4-yl)phenyl]ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-(2-methyl-4-thiazolyl)phenyl]ethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: 4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-(2-methylthiazol-4-yl)phenyl]ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S2/c1-13-22-17(12-28-13)15-5-3-14(4-6-15)9-10-21-20(24)16-7-8-19(27-2)18(11-16)23(25)26/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)