N-(1-adamantyl)-2-(3,4-dimethoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-(3,4-dimethoxyphenyl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-(3,4-dimethoxyphenyl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[(3,4-dimethoxyphenyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(3,4-dimethoxyphenyl)thio]propionamide Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H29NO3S/c1-13(26-17-4-5-18(24-2)19(9-17)25-3)20(23)22-21-10-14-6-15(11-21)8-16(7-14)12-21/h4-5,9,13-16H,6-8,10-12H2,1-3H3,(H,22,23)