S-[(4-propan-2-ylphenyl)methyl] azepane-1-carbothioate

Systemtic Name: S-[(4-propan-2-ylphenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(4-isopropylphenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(4-propan-2-ylphenyl)methyl] ester IUPAC Name: S-[(4-propan-2-ylphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(4-isopropylbenzyl) ester Formula: C17H25NOS MolecularWeight: 291.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC(=O)N2CCCCCC2

InChI

InChI=1S/C17H25NOS/c1-14(2)16-9-7-15(8-10-16)13-20-17(19)18-11-5-3-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3