8-chloranyl-5-(3-isothiocyanatophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

Systemtic Name: 8-chloranyl-5-(3-isothiocyanatophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol Openeye Name: 8-chloro-5-(3-isothiocyanatophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol CAS Name: 8-chloro-5-(3-isothiocyanatophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol IUPAC Name: 8-chloro-5-(3-isothiocyanatophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol Traditional Name: 8-chloro-5-(3-isothiocyanatophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol Formula: C18H17ClN2OS MolecularWeight: 344.85838

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC(=CC=C3)N=C=S)O)Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C(C1)C3=CC(=CC=C3)N=C=S)O)Cl

InChI

InChI=1S/C18H17ClN2OS/c1-21-6-5-13-8-17(19)18(22)9-15(13)16(10-21)12-3-2-4-14(7-12)20-11-23/h2-4,7-9,16,22H,5-6,10H2,1H3