2-(1-adamantyl)-N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(3-chloro-4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C27H30ClN5O2S MolecularWeight: 524.0774

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN5O2S/c1-15-5-22-23(32-33(31-22)19-3-4-24(35-2)20(28)9-19)10-21(15)29-26(36)30-25(34)14-27-11-16-6-17(12-27)8-18(7-16)13-27/h3-5,9-10,16-18H,6-8,11-14H2,1-2H3,(H2,29,30,34,36)