3-chloranyl-4-methoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-chloro-4-methoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-chloro-4-methoxy-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-chloro-4-methoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C25H18ClN5O2S MolecularWeight: 487.96072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C25H18ClN5O2S/c1-33-23-12-9-16(13-19(23)26)24(32)28-25(34)27-17-10-11-20-21(14-17)30-31(29-20)22-8-4-6-15-5-2-3-7-18(15)22/h2-14H,1H3,(H2,27,28,32,34)