N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]pentanamide

Systemtic Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]pentanamide Openeye Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]pentanamide CAS Name: N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]pentanamide Traditional Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]valeramide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21N5OS/c1-2-3-11-21(28)24-22(29)23-16-12-13-18-19(14-16)26-27(25-18)20-10-6-8-15-7-4-5-9-17(15)20/h4-10,12-14H,2-3,11H2,1H3,(H2,23,24,28,29)