3-(1-adamantylcarbamoylamino)-N-[(5-chloranylthiophen-2-yl)methyl]-N-ethyl-propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[(5-chloranylthiophen-2-yl)methyl]-N-ethyl-propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[(5-chloro-2-thienyl)methyl]-N-ethyl-propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[(5-chloro-2-thiophenyl)methyl]-N-ethylpropanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpropanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[(5-chloro-2-thienyl)methyl]-N-ethyl-propionamide Formula: C21H30ClN3O2S MolecularWeight: 423.9998

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30ClN3O2S/c1-2-25(13-17-3-4-18(22)28-17)19(26)5-6-23-20(27)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-4,14-16H,2,5-13H2,1H3,(H2,23,24,27)