N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]hexanamide

Systemtic Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]hexanamide Openeye Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]hexanamide CAS Name: N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]hexanamide Traditional Name: N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]hexanamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C19H21N5OS/c1-2-3-5-10-18(25)21-19(26)20-14-11-12-16-17(13-14)23-24(22-16)15-8-6-4-7-9-15/h4,6-9,11-13H,2-3,5,10H2,1H3,(H2,20,21,25,26)