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

Systemtic Name: 2-(1-adamantyl)-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)OC

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)OC

InChI

InChI=1S/C27H31N5O2S/c1-16-7-23-24(31-32(30-23)20-3-5-21(34-2)6-4-20)11-22(16)28-26(35)29-25(33)15-27-12-17-8-18(13-27)10-19(9-17)14-27/h3-7,11,17-19H,8-10,12-15H2,1-2H3,(H2,28,29,33,35)