2-(1-adamantyl)-N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]acetamide Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C24H29N3O3S2/c1-29-19-4-3-17(8-20(19)30-2)18-13-32-23(25-18)27-22(31)26-21(28)12-24-9-14-5-15(10-24)7-16(6-14)11-24/h3-4,8,13-16H,5-7,9-12H2,1-2H3,(H2,25,26,27,28,31)