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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C19H22N4O5S MolecularWeight: 418.46678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5S/c1-2-4-12-10-16(24)23-19(21-12)29-11-17(25)22-18(26)20-13-5-6-14-15(9-13)28-8-3-7-27-14/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,21,23,24)(H2,20,22,25,26)