N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N(C)CC3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N(C)CC3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S2/c1-13-12-30-21(22-13)31-19-8-7-14(9-16(19)24(26)27)20(25)23(2)10-15-11-28-17-5-3-4-6-18(17)29-15/h3-9,12,15H,10-11H2,1-2H3