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

Systemtic Name: N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-2-naphthamide Formula: C29H21N5OS MolecularWeight: 487.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H21N5OS/c1-18-15-25-26(33-34(32-25)27-12-6-10-20-8-4-5-11-23(20)27)17-24(18)30-29(36)31-28(35)22-14-13-19-7-2-3-9-21(19)16-22/h2-17H,1H3,(H2,30,31,35,36)