3-(1-adamantylcarbamoylamino)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[3-(1,3-dithian-2-yl)phenyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[3-(1,3-dithian-2-yl)phenyl]propionamide Formula: C24H33N3O2S2 MolecularWeight: 459.66772

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC(=CC=C2)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CSC(SC1)C2=CC(=CC=C2)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33N3O2S2/c28-21(26-20-4-1-3-19(12-20)22-30-7-2-8-31-22)5-6-25-23(29)27-24-13-16-9-17(14-24)11-18(10-16)15-24/h1,3-4,12,16-18,22H,2,5-11,13-15H2,(H,26,28)(H2,25,27,29)