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

Systemtic Name: 2-(1-adamantyl)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C30H37N5OS MolecularWeight: 515.71268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C30H37N5OS/c1-3-4-5-20-6-8-24(9-7-20)35-33-26-10-19(2)25(14-27(26)34-35)31-29(37)32-28(36)18-30-15-21-11-22(16-30)13-23(12-21)17-30/h6-10,14,21-23H,3-5,11-13,15-18H2,1-2H3,(H2,31,32,36,37)