2-(1-adamantyl)-N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C26H28ClN5O2S MolecularWeight: 510.05082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C26H28ClN5O2S/c1-34-23-5-3-19(10-20(23)27)32-30-21-4-2-18(9-22(21)31-32)28-25(35)29-24(33)14-26-11-15-6-16(12-26)8-17(7-15)13-26/h2-5,9-10,15-17H,6-8,11-14H2,1H3,(H2,28,29,33,35)