1-(2-methylpropyl)-4-[[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]carbonyl]-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 1-(2-methylpropyl)-4-[[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]carbonyl]-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-isobutyl-4-[(4S,6R)-6-methyl-2-thioxo-hexahydropyrimidine-4-carbonyl]-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-[[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-oxomethyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-4-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinane-4-carbonyl]-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-isobutyl-4-[(4S,6R)-6-methyl-2-thioxo-hexahydropyrimidine-4-carbonyl]-1,4-diazepan-2-one Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1)C(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1C[C@H](NC(=S)N1)C(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C22H32N4O3S/c1-15(2)10-25-11-18(29-14-17-7-5-4-6-8-17)12-26(13-20(25)27)21(28)19-9-16(3)23-22(30)24-19/h4-8,15-16,18-19H,9-14H2,1-3H3,(H2,23,24,30)/t16-,18?,19+/m1/s1