N-[[2,6-bis(chloranyl)-3-methyl-phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[2,6-bis(chloranyl)-3-methyl-phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(2,6-dichloro-3-methyl-phenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[(2,6-dichloro-3-methylanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2,6-dichloro-3-methylphenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(2,6-dichloro-3-methyl-phenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C19H22Cl2N2OS MolecularWeight: 397.36178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C19H22Cl2N2OS/c1-10-2-3-14(20)16(15(10)21)22-18(25)23-17(24)19-7-11-4-12(8-19)6-13(5-11)9-19/h2-3,11-13H,4-9H2,1H3,(H2,22,23,24,25)