N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[2-keto-2-(p-toluidino)ethyl]thio]benzamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H24N2O4S/c1-17-7-9-18(10-8-17)26-24(28)16-32-23-6-3-2-5-20(23)25(29)27-19-11-12-21-22(15-19)31-14-4-13-30-21/h2-3,5-12,15H,4,13-14,16H2,1H3,(H,26,28)(H,27,29)