N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H26N2O5S/c1-27-18-7-4-3-6-16(18)21(25)24-17(10-13-30-2)22(26)23-15-8-9-19-20(14-15)29-12-5-11-28-19/h3-4,6-9,14,17H,5,10-13H2,1-2H3,(H,23,26)(H,24,25)