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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

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