2-(1-adamantyl)-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C27H31N5OS/c1-16-3-5-21(6-4-16)32-30-23-7-17(2)22(11-24(23)31-32)28-26(34)29-25(33)15-27-12-18-8-19(13-27)10-20(9-18)14-27/h3-7,11,18-20H,8-10,12-15H2,1-2H3,(H2,28,29,33,34)