1-[5-[(4-chlorophenyl)methyl]-1-benzothiepin-4-yl]-2-(methylamino)ethanone

Systemtic Name: 1-[5-[(4-chlorophenyl)methyl]-1-benzothiepin-4-yl]-2-(methylamino)ethanone Openeye Name: 1-[5-[(4-chlorophenyl)methyl]-1-benzothiepin-4-yl]-2-(methylamino)ethanone CAS Name: 1-[5-[(4-chlorophenyl)methyl]-1-benzothiepin-4-yl]-2-(methylamino)ethanone IUPAC Name: 1-[5-[(4-chlorophenyl)methyl]-1-benzothiepin-4-yl]-2-(methylamino)ethanone Traditional Name: 1-[5-(4-chlorobenzyl)-1-benzothiepin-4-yl]-2-(methylamino)ethanone Formula: C20H18ClNOS MolecularWeight: 355.88102

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)C1=C(C2=CC=CC=C2SC=C1)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CNCC(=O)C1=C(C2=CC=CC=C2SC=C1)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClNOS/c1-22-13-19(23)16-10-11-24-20-5-3-2-4-17(20)18(16)12-14-6-8-15(21)9-7-14/h2-11,22H,12-13H2,1H3