N-[(4-bromophenyl)carbamothioyl]-3,5-dimethyl-adamantane-1-carboxamide

Systemtic Name: N-[(4-bromophenyl)carbamothioyl]-3,5-dimethyl-adamantane-1-carboxamide Openeye Name: N-[(4-bromophenyl)carbamothioyl]-3,5-dimethyl-adamantane-1-carboxamide CAS Name: N-[(4-bromoanilino)-sulfanylidenemethyl]-3,5-dimethyl-1-adamantanecarboxamide IUPAC Name: N-[(4-bromophenyl)carbamothioyl]-3,5-dimethyladamantane-1-carboxamide Traditional Name: N-[(4-bromophenyl)thiocarbamoyl]-3,5-dimethyl-adamantane-1-carboxamide Formula: C20H25BrN2OS MolecularWeight: 421.3943

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC(=S)NC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC(=S)NC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C20H25BrN2OS/c1-18-7-13-8-19(2,10-18)12-20(9-13,11-18)16(24)23-17(25)22-15-5-3-14(21)4-6-15/h3-6,13H,7-12H2,1-2H3,(H2,22,23,24,25)