N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H21N3O4S/c1-2-4-12-10-16(22)21-18(20-12)26-11-17(23)19-13-5-6-14-15(9-13)25-8-3-7-24-14/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,19,23)(H,20,21,22)