N-(dipropylcarbamothioyl)-3-(4-methylphenyl)adamantane-1-carboxamide

Systemtic Name: N-(dipropylcarbamothioyl)-3-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: N-(dipropylcarbamothioyl)-3-(p-tolyl)adamantane-1-carboxamide CAS Name: N-[(dipropylamino)-sulfanylidenemethyl]-3-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: N-(dipropylcarbamothioyl)-3-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: N-(dipropylthiocarbamoyl)-3-(p-tolyl)adamantane-1-carboxamide Formula: C25H36N2OS MolecularWeight: 412.63114

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=S)NC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN(CCC)C(=S)NC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H36N2OS/c1-4-10-27(11-5-2)23(29)26-22(28)25-15-19-12-20(16-25)14-24(13-19,17-25)21-8-6-18(3)7-9-21/h6-9,19-20H,4-5,10-17H2,1-3H3,(H,26,28,29)