N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-2-(4-propan-2-ylphenoxy)ethanamide

Systemtic Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-2-(4-propan-2-ylphenoxy)ethanamide Openeye Name: 2-(4-isopropylphenoxy)-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-(4-propan-2-ylphenoxy)acetamide IUPAC Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-2-(4-propan-2-ylphenoxy)acetamide Traditional Name: 2-(4-isopropylphenoxy)-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N5O2S/c1-18(2)19-10-13-22(14-11-19)35-17-27(34)30-28(36)29-21-12-15-24-25(16-21)32-33(31-24)26-9-5-7-20-6-3-4-8-23(20)26/h3-16,18H,17H2,1-2H3,(H2,29,30,34,36)