N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S2/c1-12-11-29-20(21-12)30-18-6-3-13(9-15(18)23(25)26)19(24)22-14-4-5-16-17(10-14)28-8-2-7-27-16/h3-6,9-11H,2,7-8H2,1H3,(H,22,24)