3-(1-adamantylcarbamoylamino)-N-[4-(4-bromophenyl)sulfanylphenyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[4-(4-bromophenyl)sulfanylphenyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[4-(4-bromophenyl)sulfanylphenyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[4-[(4-bromophenyl)thio]phenyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[4-(4-bromophenyl)sulfanylphenyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[4-[(4-bromophenyl)thio]phenyl]propionamide Formula: C26H30BrN3O2S MolecularWeight: 528.5043

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NC4=CC=C(C=C4)SC5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NC4=CC=C(C=C4)SC5=CC=C(C=C5)Br

InChI

InChI=1S/C26H30BrN3O2S/c27-20-1-5-22(6-2-20)33-23-7-3-21(4-8-23)29-24(31)9-10-28-25(32)30-26-14-17-11-18(15-26)13-19(12-17)16-26/h1-8,17-19H,9-16H2,(H,29,31)(H2,28,30,32)