S-[1-[[1-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanylidene-5-phenyl-azepan-3-yl]amino]-1-oxidanylidene-pentan-2-yl] 2-piperidin-1-ylethanethioate

Systemtic Name: S-[1-[[1-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanylidene-5-phenyl-azepan-3-yl]amino]-1-oxidanylidene-pentan-2-yl] 2-piperidin-1-ylethanethioate Openeye Name: S-[1-[[1-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-2-oxo-5-phenyl-azepan-3-yl]carbamoyl]butyl] 2-(1-piperidyl)ethanethioate CAS Name: 2-(1-piperidinyl)ethanethioic acid S-[1-[[1-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-oxo-5-phenyl-3-azepanyl]amino]-1-oxopentan-2-yl] ester IUPAC Name: S-[1-[[1-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-oxo-5-phenylazepan-3-yl]amino]-1-oxopentan-2-yl] 2-piperidin-1-ylethanethioate Traditional Name: 2-piperidinoethanethioic acid S-[1-[[1-[1-benzyl-2-keto-2-(methylamino)ethyl]-2-keto-5-phenyl-azepan-3-yl]carbamoyl]butyl] ester Formula: C34H46N4O4S MolecularWeight: 606.81844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1CC(CCN(C1=O)C(CC2=CC=CC=C2)C(=O)NC)C3=CC=CC=C3)SC(=O)CN4CCCCC4

Isomeric SMILES

CCCC(C(=O)NC1CC(CCN(C1=O)C(CC2=CC=CC=C2)C(=O)NC)C3=CC=CC=C3)SC(=O)CN4CCCCC4

InChI

InChI=1S/C34H46N4O4S/c1-3-13-30(43-31(39)24-37-19-11-6-12-20-37)33(41)36-28-23-27(26-16-9-5-10-17-26)18-21-38(34(28)42)29(32(40)35-2)22-25-14-7-4-8-15-25/h4-5,7-10,14-17,27-30H,3,6,11-13,18-24H2,1-2H3,(H,35,40)(H,36,41)