1-cyclohexyl-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-cyclohexyl-4-[3-(4-methylthiazol-5-yl)propanoyl]-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[3-(4-methyl-5-thiazolyl)-1-oxopropyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-cyclohexyl-4-[3-(4-methylthiazol-5-yl)propanoyl]-1,4-diazepan-2-one Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCC(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=N1)CCC(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3S/c1-19-23(32-18-26-19)12-13-24(29)27-14-22(31-17-20-8-4-2-5-9-20)15-28(25(30)16-27)21-10-6-3-7-11-21/h2,4-5,8-9,18,21-22H,3,6-7,10-17H2,1H3