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

Systemtic Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]butanamide Openeye Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]butanamide CAS Name: N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide Traditional Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]butyramide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS/c1-3-7-17(24)20-18(25)19-14-11-16-15(10-12(14)2)21-23(22-16)13-8-5-4-6-9-13/h4-6,8-11H,3,7H2,1-2H3,(H2,19,20,24,25)