2-(1-adamantyl)-N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2-butyltetrazol-5-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-butyltetrazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2-butyltetrazol-5-yl)thiocarbamoyl]acetamide Formula: C18H28N6OS MolecularWeight: 376.51952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H28N6OS/c1-2-3-4-24-22-16(21-23-24)20-17(26)19-15(25)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14H,2-11H2,1H3,(H2,19,20,22,25,26)