(phenylmethyl) 2-[4-(2-phenyl-2-phenylsulfanyl-ethanoyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2-phenyl-2-phenylsulfanyl-ethanoyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(2-phenyl-2-phenylsulfanyl-acetyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[1-oxo-2-phenyl-2-(phenylthio)ethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-phenyl-2-phenylsulfanylacetyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-phenyl-2-(phenylthio)acetyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3S/c31-26(33-22-23-11-4-1-5-12-23)21-29-17-10-18-30(20-19-29)28(32)27(24-13-6-2-7-14-24)34-25-15-8-3-9-16-25/h1-9,11-16,27H,10,17-22H2