N-[1-(1-adamantyl)ethylcarbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[1-(1-adamantyl)ethylthiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C26H32N2O2S MolecularWeight: 436.60948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC(C)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC(C)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H32N2O2S/c1-15-4-5-21(8-16(15)2)22-6-7-23(30-22)24(29)28-25(31)27-17(3)26-12-18-9-19(13-26)11-20(10-18)14-26/h4-8,17-20H,9-14H2,1-3H3,(H2,27,28,29,31)