N-(1-adamantylcarbamothioyl)-5-(3-chloranyl-4-methyl-phenyl)furan-2-carboxamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-5-(3-chloranyl-4-methyl-phenyl)furan-2-carboxamide Openeye Name: N-(1-adamantylcarbamothioyl)-5-(3-chloro-4-methyl-phenyl)furan-2-carboxamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-5-(3-chloro-4-methylphenyl)-2-furancarboxamide IUPAC Name: N-(1-adamantylcarbamothioyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide Traditional Name: N-(1-adamantylthiocarbamoyl)-5-(3-chloro-4-methyl-phenyl)-2-furamide Formula: C23H25ClN2O2S MolecularWeight: 428.9748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C23H25ClN2O2S/c1-13-2-3-17(9-18(13)24)19-4-5-20(28-19)21(27)25-22(29)26-23-10-14-6-15(11-23)8-16(7-14)12-23/h2-5,9,14-16H,6-8,10-12H2,1H3,(H2,25,26,27,29)