3-chloranyl-4-methyl-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methyl-N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-chloro-4-methyl-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-chloro-4-methyl-N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methyl-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-chloro-4-methyl-N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C26H20ClN5OS MolecularWeight: 485.9879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=CC5=CC=CC=C54)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C26H20ClN5OS/c1-15-10-11-18(13-20(15)27)25(33)29-26(34)28-21-14-23-22(12-16(21)2)30-32(31-23)24-9-5-7-17-6-3-4-8-19(17)24/h3-14H,1-2H3,(H2,28,29,33,34)