N-[[4-azanyl-3,5-bis(chloranyl)phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-azanyl-3,5-bis(chloranyl)phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(4-amino-3,5-dichloro-phenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[(4-amino-3,5-dichloroanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-amino-3,5-dichlorophenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(4-amino-3,5-dichloro-phenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C18H21Cl2N3OS MolecularWeight: 398.34984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N3OS/c19-13-4-12(5-14(20)15(13)21)22-17(25)23-16(24)18-6-9-1-10(7-18)3-11(2-9)8-18/h4-5,9-11H,1-3,6-8,21H2,(H2,22,23,24,25)