N-cyclopropyl-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]benzamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4)OC1

InChI

InChI=1S/C21H22N2O4S/c24-20(13-28-15-8-9-18-19(12-15)27-11-3-10-26-18)23-17-5-2-1-4-16(17)21(25)22-14-6-7-14/h1-2,4-5,8-9,12,14H,3,6-7,10-11,13H2,(H,22,25)(H,23,24)