2-[2-(4-chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-N,N-diethyl-ethanamine

Systemtic Name: 2-[2-(4-chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-N,N-diethyl-ethanamine Openeye Name: 2-[2-(4-chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-N,N-diethyl-ethanamine CAS Name: 2-[2-(4-chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-N,N-diethylethanamine IUPAC Name: 2-[2-(4-chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-N,N-diethylethanamine Traditional Name: 2-[2-(4-chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]ethyl-diethyl-amine Formula: C27H29ClN2S MolecularWeight: 449.05056

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN(CC)CCC1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29ClN2S/c1-3-30(4-2)19-18-23-26(20-10-6-5-7-11-20)29-24-12-8-9-13-25(24)31-27(23)21-14-16-22(28)17-15-21/h5-17,23,27H,3-4,18-19H2,1-2H3