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

Systemtic Name: 2-(1-adamantyl)-N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3-chloro-4-methoxy-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]acetamide Formula: C20H25ClN2O2S MolecularWeight: 392.9427

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C20H25ClN2O2S/c1-25-17-3-2-15(7-16(17)21)22-19(26)23-18(24)11-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H2,22,23,24,26)