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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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