N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-3-propoxy-benzamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H23N5O2S/c1-2-15-34-21-10-5-9-19(16-21)26(33)29-27(35)28-20-13-14-23-24(17-20)31-32(30-23)25-12-6-8-18-7-3-4-11-22(18)25/h3-14,16-17H,2,15H2,1H3,(H2,28,29,33,35)