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

Systemtic Name: 2-(1-adamantyl)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C29H35N5OS MolecularWeight: 501.6861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N5OS/c1-2-3-4-19-5-8-24(9-6-19)34-32-25-10-7-23(14-26(25)33-34)30-28(36)31-27(35)18-29-15-20-11-21(16-29)13-22(12-20)17-29/h5-10,14,20-22H,2-4,11-13,15-18H2,1H3,(H2,30,31,35,36)