N-[4-[2-(7-oxidanylidene-4-phenethyl-1,4-diazepan-1-yl)-3-phenyl-propyl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[2-(7-oxidanylidene-4-phenethyl-1,4-diazepan-1-yl)-3-phenyl-propyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[2-(7-oxo-4-phenethyl-1,4-diazepan-1-yl)-3-phenyl-propyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[2-(7-oxo-4-phenethyl-1,4-diazepan-1-yl)-3-phenylpropyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-(7-oxo-4-phenethyl-1,4-diazepan-1-yl)-3-phenylpropyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-(7-keto-4-phenethyl-1,4-diazepan-1-yl)-3-phenyl-propyl]thio]phenyl]acetamide Formula: C30H35N3O2S MolecularWeight: 501.6828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(CC2=CC=CC=C2)N3CCN(CCC3=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(CC2=CC=CC=C2)N3CCN(CCC3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C30H35N3O2S/c1-24(34)31-27-12-14-29(15-13-27)36-23-28(22-26-10-6-3-7-11-26)33-21-20-32(19-17-30(33)35)18-16-25-8-4-2-5-9-25/h2-15,28H,16-23H2,1H3,(H,31,34)