N-(4-chlorophenyl)-1-phenyl-2,3,6,7,8,9-hexahydro-4,1-benzothiazepin-5-imine

Systemtic Name: N-(4-chlorophenyl)-1-phenyl-2,3,6,7,8,9-hexahydro-4,1-benzothiazepin-5-imine Openeye Name: N-(4-chlorophenyl)-1-phenyl-2,3,6,7,8,9-hexahydro-4,1-benzothiazepin-5-imine CAS Name: N-(4-chlorophenyl)-1-phenyl-2,3,6,7,8,9-hexahydro-4,1-benzothiazepin-5-imine IUPAC Name: N-(4-chlorophenyl)-1-phenyl-2,3,6,7,8,9-hexahydro-4,1-benzothiazepin-5-imine Traditional Name: (4-chlorophenyl)-(1-phenyl-2,3,6,7,8,9-hexahydro-4,1-benzothiazepin-5-ylidene)amine Formula: C21H21ClN2S MolecularWeight: 368.92284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC3=CC=C(C=C3)Cl)SCCN2C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=NC3=CC=C(C=C3)Cl)SCCN2C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2S/c22-16-10-12-17(13-11-16)23-21-19-8-4-5-9-20(19)24(14-15-25-21)18-6-2-1-3-7-18/h1-3,6-7,10-13H,4-5,8-9,14-15H2