N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]adamantane-1-carboxamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C23H27N3O3S2/c1-28-18-4-3-16(8-19(18)29-2)17-12-31-22(24-17)26-21(30)25-20(27)23-9-13-5-14(10-23)7-15(6-13)11-23/h3-4,8,12-15H,5-7,9-11H2,1-2H3,(H2,24,25,26,27,30)