3-(cyclopropylmethyl)-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 3-(cyclopropylmethyl)-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3-(cyclopropylmethyl)-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 3-(cyclopropylmethyl)-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 3-(cyclopropylmethyl)-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3-(cyclopropylmethyl)-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CCC3=CC(=C(C(=C3CC2)SC4=CC=CC=C4)O)O

Isomeric SMILES

C1CC1CN2CCC3=CC(=C(C(=C3CC2)SC4=CC=CC=C4)O)O

InChI

InChI=1S/C20H23NO2S/c22-18-12-15-8-10-21(13-14-6-7-14)11-9-17(15)20(19(18)23)24-16-4-2-1-3-5-16/h1-5,12,14,22-23H,6-11,13H2