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

Systemtic Name: N-(2-adamantylcarbamothioyl)-5-(3-chloranyl-4-methyl-phenyl)furan-2-carboxamide Openeye Name: N-(2-adamantylcarbamothioyl)-5-(3-chloro-4-methyl-phenyl)furan-2-carboxamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-5-(3-chloro-4-methylphenyl)-2-furancarboxamide IUPAC Name: N-(2-adamantylcarbamothioyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide Traditional Name: N-(2-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)NC3C4CC5CC(C4)CC3C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3C4CC5CC(C4)CC3C5)Cl

InChI

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