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

Systemtic Name: 2-(1-adamantyl)-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]acetamide Formula: C29H35N5OS MolecularWeight: 501.6861

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H35N5OS/c1-17(2)22-4-6-23(7-5-22)34-32-25-8-18(3)24(12-26(25)33-34)30-28(36)31-27(35)16-29-13-19-9-20(14-29)11-21(10-19)15-29/h4-8,12,17,19-21H,9-11,13-16H2,1-3H3,(H2,30,31,35,36)