N-[[(2S)-2,3-dimethyl-5-oxidanylidene-1-phenyl-2H-pyrrol-4-yl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[(2S)-2,3-dimethyl-5-oxidanylidene-1-phenyl-2H-pyrrol-4-yl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[(2S)-2,3-dimethyl-5-oxo-1-phenyl-2H-pyrrol-4-yl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[[(2S)-2,3-dimethyl-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[(2S)-2,3-dimethyl-5-oxo-1-phenyl-2H-pyrrol-4-yl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[(5S)-2-keto-4,5-dimethyl-1-phenyl-3-pyrrolin-3-yl]thiocarbamoyl]adamantane-1-carboxamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C(=O)N1C2=CC=CC=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

C[C@H]1C(=C(C(=O)N1C2=CC=CC=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C24H29N3O2S/c1-14-15(2)27(19-6-4-3-5-7-19)21(28)20(14)25-23(30)26-22(29)24-11-16-8-17(12-24)10-18(9-16)13-24/h3-7,15-18H,8-13H2,1-2H3,(H2,25,26,29,30)/t15-,16?,17?,18?,24?/m0/s1