methyl 4-[2-(3-methoxyphenyl)sulfanylphenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: methyl 4-[2-(3-methoxyphenyl)sulfanylphenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[2-(3-methoxyphenyl)sulfanylphenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-[(3-methoxyphenyl)thio]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3-methoxyphenyl)sulfanylphenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-[(3-methoxyphenyl)thio]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=CC=CC=C2N3CCCN(CC3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC=C1)SC2=CC=CC=C2N3CCCN(CC3)C(=O)OC

InChI

InChI=1S/C20H24N2O3S/c1-24-16-7-5-8-17(15-16)26-19-10-4-3-9-18(19)21-11-6-12-22(14-13-21)20(23)25-2/h3-5,7-10,15H,6,11-14H2,1-2H3