3-(phenylmethyl)-2-sulfanylidene-1,3-thiazepan-4-one

Systemtic Name: 3-(phenylmethyl)-2-sulfanylidene-1,3-thiazepan-4-one Openeye Name: 3-benzyl-2-thioxo-1,3-thiazepan-4-one CAS Name: 3-(phenylmethyl)-2-sulfanylidene-1,3-thiazepan-4-one IUPAC Name: 3-benzyl-2-sulfanylidene-1,3-thiazepan-4-one Traditional Name: 3-benzyl-2-thioxo-1,3-thiazepan-4-one Formula: C12H13NOS2 MolecularWeight: 251.36772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(=S)SC1)CC2=CC=CC=C2

Isomeric SMILES

C1CC(=O)N(C(=S)SC1)CC2=CC=CC=C2

InChI

InChI=1S/C12H13NOS2/c14-11-7-4-8-16-12(15)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2