N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H26N2O4S/c23-19(22-20(24)21-10-9-15-5-2-1-3-6-15)14-27-16-7-8-17-18(13-16)26-12-4-11-25-17/h5,7-8,13H,1-4,6,9-12,14H2,(H2,21,22,23,24)