N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-N-[(4-prop-2-enoxyphenyl)methyl]benzamide

Systemtic Name: N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-N-[(4-prop-2-enoxyphenyl)methyl]benzamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-N-methyl-2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzamide CAS Name: N-methyl-2-[(4-methyl-2-thiazolyl)thio]-5-nitro-N-[(4-prop-2-enoxyphenyl)methyl]benzamide IUPAC Name: N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-N-[(4-prop-2-enoxyphenyl)methyl]benzamide Traditional Name: N-(4-allyloxybenzyl)-N-methyl-2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C)CC3=CC=C(C=C3)OCC=C

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C)CC3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C22H21N3O4S2/c1-4-11-29-18-8-5-16(6-9-18)13-24(3)21(26)19-12-17(25(27)28)7-10-20(19)31-22-23-15(2)14-30-22/h4-10,12,14H,1,11,13H2,2-3H3