3-(1-adamantylcarbamoylamino)-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[2-(methylthio)phenyl]propionamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3O2S/c1-27-18-5-3-2-4-17(18)23-19(25)6-7-22-20(26)24-21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16H,6-13H2,1H3,(H,23,25)(H2,22,24,26)