N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]pentanamide

Systemtic Name: N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]pentanamide Openeye Name: N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]pentanamide CAS Name: N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]pentanamide Traditional Name: N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]valeramide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1C)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1C)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H23N5OS/c1-3-4-12-22(29)25-23(30)24-18-14-20-19(13-15(18)2)26-28(27-20)21-11-7-9-16-8-5-6-10-17(16)21/h5-11,13-14H,3-4,12H2,1-2H3,(H2,24,25,29,30)