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

Systemtic Name: 3-methyl-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]butyramide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC(C)C)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC(C)C)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H23N5OS/c1-14(2)11-22(29)25-23(30)24-18-13-20-19(12-15(18)3)26-28(27-20)21-10-6-8-16-7-4-5-9-17(16)21/h4-10,12-14H,11H2,1-3H3,(H2,24,25,29,30)