N-(1-adamantylmethyl)-2-[(3,4-dimethoxyphenyl)amino]-2-sulfanylidene-ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[(3,4-dimethoxyphenyl)amino]-2-sulfanylidene-ethanamide Openeye Name: N-(1-adamantylmethyl)-2-(3,4-dimethoxyanilino)-2-thioxo-acetamide CAS Name: N-(1-adamantylmethyl)-2-(3,4-dimethoxyanilino)-2-sulfanylideneacetamide IUPAC Name: N-(1-adamantylmethyl)-2-(3,4-dimethoxyanilino)-2-sulfanylideneacetamide Traditional Name: N-(1-adamantylmethyl)-2-(3,4-dimethoxyanilino)-2-thioxo-acetamide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)C(=O)NCC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)C(=O)NCC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C21H28N2O3S/c1-25-17-4-3-16(8-18(17)26-2)23-20(27)19(24)22-12-21-9-13-5-14(10-21)7-15(6-13)11-21/h3-4,8,13-15H,5-7,9-12H2,1-2H3,(H,22,24)(H,23,27)