(4R,5R)-7,8-dimethoxy-4-phenyl-5-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde

Systemtic Name: (4R,5R)-7,8-dimethoxy-4-phenyl-5-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde Openeye Name: (4R,5R)-7,8-dimethoxy-4-phenyl-5-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde CAS Name: (4R,5R)-7,8-dimethoxy-4-phenyl-5-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxaldehyde IUPAC Name: (4R,5R)-7,8-dimethoxy-4-phenyl-5-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde Traditional Name: (4R,5R)-7,8-dimethoxy-4-phenyl-5-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(C(N(CCC2=C1)C=O)C3=CC=CC=C3)SC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([C@H](N(CCC2=C1)C=O)C3=CC=CC=C3)SC4=CC=CC=C4)OC

InChI

InChI=1S/C25H25NO3S/c1-28-22-15-19-13-14-26(17-27)24(18-9-5-3-6-10-18)25(21(19)16-23(22)29-2)30-20-11-7-4-8-12-20/h3-12,15-17,24-25H,13-14H2,1-2H3/t24-,25-/m1/s1