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

Systemtic Name: N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]butanamide Openeye Name: N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]butanamide CAS Name: N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]butanamide Traditional Name: N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]butyramide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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