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

Systemtic Name: N-(1-adamantylmethyl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(1-adamantylmethyl)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(1-adamantylmethyl)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-(1-adamantylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-(1-adamantylmethyl)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C23H32N2O2S MolecularWeight: 400.57738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32N2O2S/c1-15-3-5-20(6-4-15)25-21(26)13-28-16(2)22(27)24-14-23-10-17-7-18(11-23)9-19(8-17)12-23/h3-6,16-19H,7-14H2,1-2H3,(H,24,27)(H,25,26)