N-(1-adamantylmethyl)-N-methyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-(1-adamantylmethyl)-N-methyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(1-adamantylmethyl)-N-methyl-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(1-adamantylmethyl)-N-methyl-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-(1-adamantylmethyl)-N-methyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-(1-adamantylmethyl)-2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-methyl-propionamide Formula: C24H34N2O2S MolecularWeight: 414.60396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N(C)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N(C)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H34N2O2S/c1-16-4-6-21(7-5-16)25-22(27)14-29-17(2)23(28)26(3)15-24-11-18-8-19(12-24)10-20(9-18)13-24/h4-7,17-20H,8-15H2,1-3H3,(H,25,27)