4-(9-chloranyl-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde

Systemtic Name: 4-(9-chloranyl-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde Openeye Name: 4-(9-chloro-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde CAS Name: 4-(9-chloro-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde IUPAC Name: 4-(9-chloro-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde Traditional Name: 4-(9-chloro-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde Formula: C19H20ClNO2S MolecularWeight: 361.8856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CCNCC(C2=C1)C3=CC=C(C=C3)C=S)Cl)OC

Isomeric SMILES

COC1=C(C(=C2CCNCC(C2=C1)C3=CC=C(C=C3)C=S)Cl)OC

InChI

InChI=1S/C19H20ClNO2S/c1-22-17-9-15-14(18(20)19(17)23-2)7-8-21-10-16(15)13-5-3-12(11-24)4-6-13/h3-6,9,11,16,21H,7-8,10H2,1-2H3