azepan-1-yl-(3-methoxy-4-phenylmethoxy-phenyl)methanethione

Systemtic Name: azepan-1-yl-(3-methoxy-4-phenylmethoxy-phenyl)methanethione Openeye Name: azepan-1-yl-(4-benzyloxy-3-methoxy-phenyl)methanethione CAS Name: 1-azepanyl-(3-methoxy-4-phenylmethoxyphenyl)methanethione IUPAC Name: azepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methanethione Traditional Name: azepan-1-yl-(4-benzoxy-3-methoxy-phenyl)methanethione Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCCCCC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCCCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO2S/c1-23-20-15-18(21(25)22-13-7-2-3-8-14-22)11-12-19(20)24-16-17-9-5-4-6-10-17/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3