N-[3-(azepan-1-yl)propyl]-2-(3,4-dimethoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-(3,4-dimethoxyphenyl)sulfanyl-propanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(3,4-dimethoxyphenyl)sulfanyl-propanamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[(3,4-dimethoxyphenyl)thio]propanamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-[(3,4-dimethoxyphenyl)thio]propionamide Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CCCCCC1)SC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C(=O)NCCCN1CCCCCC1)SC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H32N2O3S/c1-16(26-17-9-10-18(24-2)19(15-17)25-3)20(23)21-11-8-14-22-12-6-4-5-7-13-22/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,21,23)