4-(dimethylaminomethyl)-3,4-dihydro-2H-1-benzothiepin-5-one

Systemtic Name: 4-(dimethylaminomethyl)-3,4-dihydro-2H-1-benzothiepin-5-one Openeye Name: 4-(dimethylaminomethyl)-3,4-dihydro-2H-1-benzothiepin-5-one CAS Name: 4-(dimethylaminomethyl)-3,4-dihydro-2H-1-benzothiepin-5-one IUPAC Name: 4-(dimethylaminomethyl)-3,4-dihydro-2H-1-benzothiepin-5-one Traditional Name: 4-(dimethylaminomethyl)-3,4-dihydro-2H-1-benzothiepin-5-one Formula: C13H17NOS MolecularWeight: 235.34518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCSC2=CC=CC=C2C1=O

Isomeric SMILES

CN(C)CC1CCSC2=CC=CC=C2C1=O

InChI

InChI=1S/C13H17NOS/c1-14(2)9-10-7-8-16-12-6-4-3-5-11(12)13(10)15/h3-6,10H,7-9H2,1-2H3