3-[2-(2-dimethylaminoethyloxy)-5-phenyl-benzo[b][1]benzothiepin-6-yl]-N,N-diethyl-propanamide

Systemtic Name: 3-[2-(2-dimethylaminoethyloxy)-5-phenyl-benzo[b][1]benzothiepin-6-yl]-N,N-diethyl-propanamide Openeye Name: 3-[2-(2-dimethylaminoethyloxy)-5-phenyl-benzo[b][1]benzothiepin-6-yl]-N,N-diethyl-propanamide CAS Name: 3-[2-(2-dimethylaminoethyloxy)-5-phenyl-6-benzo[b][1]benzothiepinyl]-N,N-diethylpropanamide IUPAC Name: 3-[2-(2-dimethylaminoethyloxy)-5-phenylbenzo[b][1]benzothiepin-6-yl]-N,N-diethylpropanamide Traditional Name: 3-[2-(2-dimethylaminoethyloxy)-5-phenyl-benzo[b][1]benzothiepin-6-yl]-N,N-diethyl-propionamide Formula: C31H36N2O2S MolecularWeight: 500.69474

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCC1=C(C2=C(C=C(C=C2)OCCN(C)C)SC3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)CCC1=C(C2=C(C=C(C=C2)OCCN(C)C)SC3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C31H36N2O2S/c1-5-33(6-2)30(34)19-18-26-25-14-10-11-15-28(25)36-29-22-24(35-21-20-32(3)4)16-17-27(29)31(26)23-12-8-7-9-13-23/h7-17,22H,5-6,18-21H2,1-4H3