N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]thiomorpholine-4-carboxamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]thiomorpholine-4-carboxamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]thiomorpholine-4-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-thiomorpholinecarboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]thiomorpholine-4-carboxamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]thiomorpholine-4-carboxamide Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)N3CCSCC3

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)N3CCSCC3

InChI

InChI=1S/C16H22N2O3S/c1-12(17-16(19)18-5-9-22-10-6-18)13-3-4-14-15(11-13)21-8-2-7-20-14/h3-4,11-12H,2,5-10H2,1H3,(H,17,19)