S-(naphthalen-1-ylmethyl) azepane-1-carbothioate

Systemtic Name: S-(naphthalen-1-ylmethyl) azepane-1-carbothioate Openeye Name: S-(1-naphthylmethyl) azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-(1-naphthalenylmethyl) ester IUPAC Name: S-(naphthalen-1-ylmethyl) azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(1-naphthylmethyl) ester Formula: C18H21NOS MolecularWeight: 299.43044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)SCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)SCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H21NOS/c20-18(19-12-5-1-2-6-13-19)21-14-16-10-7-9-15-8-3-4-11-17(15)16/h3-4,7-11H,1-2,5-6,12-14H2