6-(cyclopropylmethoxy)-1-(pyridin-3-ylmethyl)-4-(2-pyridin-2-ylsulfanylethanoyl)-1,4-diazepan-2-one

Systemtic Name: 6-(cyclopropylmethoxy)-1-(pyridin-3-ylmethyl)-4-(2-pyridin-2-ylsulfanylethanoyl)-1,4-diazepan-2-one Openeye Name: 6-(cyclopropylmethoxy)-1-(3-pyridylmethyl)-4-[2-(2-pyridylsulfanyl)acetyl]-1,4-diazepan-2-one CAS Name: 6-(cyclopropylmethoxy)-4-[1-oxo-2-(2-pyridinylthio)ethyl]-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-(cyclopropylmethoxy)-1-(pyridin-3-ylmethyl)-4-(2-pyridin-2-ylsulfanylacetyl)-1,4-diazepan-2-one Traditional Name: 6-(cyclopropylmethoxy)-1-(3-pyridylmethyl)-4-[2-(2-pyridylthio)acetyl]-1,4-diazepan-2-one Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2CN(CC(=O)N(C2)CC3=CN=CC=C3)C(=O)CSC4=CC=CC=N4

Isomeric SMILES

C1CC1COC2CN(CC(=O)N(C2)CC3=CN=CC=C3)C(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C22H26N4O3S/c27-21-14-26(22(28)16-30-20-5-1-2-9-24-20)13-19(29-15-17-6-7-17)12-25(21)11-18-4-3-8-23-10-18/h1-5,8-10,17,19H,6-7,11-16H2