2-(1-adamantyl)-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]acetamide Formula: C23H30ClN3OS MolecularWeight: 432.0218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3OS/c24-19-10-18(3-4-20(19)27-5-1-2-6-27)25-22(29)26-21(28)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h3-4,10,15-17H,1-2,5-9,11-14H2,(H2,25,26,28,29)