N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]propanamide

Systemtic Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]propanamide Openeye Name: N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]propanamide CAS Name: N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]propanamide Traditional Name: N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]propionamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS/c1-4-17(24)20-18(25)19-14-10-16-15(9-12(14)3)21-23(22-16)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H2,19,20,24,25)