2-(1-adamantyl)-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C31H38N4O2S MolecularWeight: 530.72402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H38N4O2S/c1-21-4-2-3-5-27(21)29(37)35-12-10-34(11-13-35)26-8-6-25(7-9-26)32-30(38)33-28(36)20-31-17-22-14-23(18-31)16-24(15-22)19-31/h2-9,22-24H,10-20H2,1H3,(H2,32,33,36,38)