(E)-N-(2-adamantylcarbamothioyl)-3-(2,4-dichlorophenyl)prop-2-enamide

Systemtic Name: (E)-N-(2-adamantylcarbamothioyl)-3-(2,4-dichlorophenyl)prop-2-enamide Openeye Name: (E)-N-(2-adamantylcarbamothioyl)-3-(2,4-dichlorophenyl)prop-2-enamide CAS Name: (E)-N-[(2-adamantylamino)-sulfanylidenemethyl]-3-(2,4-dichlorophenyl)-2-propenamide IUPAC Name: (E)-N-(2-adamantylcarbamothioyl)-3-(2,4-dichlorophenyl)prop-2-enamide Traditional Name: (E)-N-(2-adamantylthiocarbamoyl)-3-(2,4-dichlorophenyl)acrylamide Formula: C20H22Cl2N2OS MolecularWeight: 409.37248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22Cl2N2OS/c21-16-3-1-13(17(22)10-16)2-4-18(25)23-20(26)24-19-14-6-11-5-12(8-14)9-15(19)7-11/h1-4,10-12,14-15,19H,5-9H2,(H2,23,24,25,26)/b4-2+