(7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-imidazol-1-yl-methanethione

Systemtic Name: (7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-imidazol-1-yl-methanethione Openeye Name: (7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-imidazol-1-yl-methanethione CAS Name: (7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(1-imidazolyl)methanethione IUPAC Name: (7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-imidazol-1-ylmethanethione Traditional Name: (7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-imidazol-1-yl-methanethione Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(CN(CCC2=C1)C(=S)N3C=CN=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(CN(CCC2=C1)C(=S)N3C=CN=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H23N3O2S/c1-26-20-12-17-8-10-24(22(28)25-11-9-23-15-25)14-19(16-6-4-3-5-7-16)18(17)13-21(20)27-2/h3-7,9,11-13,15,19H,8,10,14H2,1-2H3