(E)-N-(2-adamantylcarbamothioyl)-3-(4-chlorophenyl)prop-2-enamide

Systemtic Name: (E)-N-(2-adamantylcarbamothioyl)-3-(4-chlorophenyl)prop-2-enamide Openeye Name: (E)-N-(2-adamantylcarbamothioyl)-3-(4-chlorophenyl)prop-2-enamide CAS Name: (E)-N-[(2-adamantylamino)-sulfanylidenemethyl]-3-(4-chlorophenyl)-2-propenamide IUPAC Name: (E)-N-(2-adamantylcarbamothioyl)-3-(4-chlorophenyl)prop-2-enamide Traditional Name: (E)-N-(2-adamantylthiocarbamoyl)-3-(4-chlorophenyl)acrylamide Formula: C20H23ClN2OS MolecularWeight: 374.92742

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C=CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)/C=C/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H23ClN2OS/c21-17-4-1-12(2-5-17)3-6-18(24)22-20(25)23-19-15-8-13-7-14(10-15)11-16(19)9-13/h1-6,13-16,19H,7-11H2,(H2,22,23,24,25)/b6-3+