N-(1-adamantylmethyl)-2-methoxy-4-methylsulfanyl-benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-(1-adamantylmethyl)-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-(1-adamantylmethyl)-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-(1-adamantylmethyl)-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-(1-adamantylmethyl)-2-methoxy-4-(methylthio)benzamide Formula: C20H27NO2S MolecularWeight: 345.49888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27NO2S/c1-23-18-8-16(24-2)3-4-17(18)19(22)21-12-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15H,5-7,9-12H2,1-2H3,(H,21,22)