N-[1-(1-adamantyl)ethylcarbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

Systemtic Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Openeye Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3-[5-(4-chlorophenyl)-2-furyl]prop-2-enamide CAS Name: N-[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]-3-[5-(4-chlorophenyl)-2-furanyl]-2-propenamide IUPAC Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Traditional Name: N-[1-(1-adamantyl)ethylthiocarbamoyl]-3-[5-(4-chlorophenyl)-2-furyl]acrylamide Formula: C26H29ClN2O2S MolecularWeight: 469.03866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H29ClN2O2S/c1-16(26-13-17-10-18(14-26)12-19(11-17)15-26)28-25(32)29-24(30)9-7-22-6-8-23(31-22)20-2-4-21(27)5-3-20/h2-9,16-19H,10-15H2,1H3,(H2,28,29,30,32)