2-(1-adamantyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(4-pyrrolidinophenyl)thiocarbamoyl]acetamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3OS/c27-21(15-23-12-16-9-17(13-23)11-18(10-16)14-23)25-22(28)24-19-3-5-20(6-4-19)26-7-1-2-8-26/h3-6,16-18H,1-2,7-15H2,(H2,24,25,27,28)