2-(1-adamantyl)-N-[(4-iodophenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(4-iodophenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(4-iodophenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(4-iodoanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4-iodophenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(4-iodophenyl)thiocarbamoyl]acetamide Formula: C19H23IN2OS MolecularWeight: 454.36819

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=C(C=C4)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=C(C=C4)I

InChI

InChI=1S/C19H23IN2OS/c20-15-1-3-16(4-2-15)21-18(24)22-17(23)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H2,21,22,23,24)