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

Systemtic Name: N-[(6-methyl-2-naphthalen-1-yl-benzotriazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[6-methyl-2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]coumarilamide Formula: C27H19N5O2S MolecularWeight: 477.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H19N5O2S/c1-16-13-21-22(31-32(30-21)23-11-6-9-17-7-2-4-10-19(17)23)15-20(16)28-27(35)29-26(33)25-14-18-8-3-5-12-24(18)34-25/h2-15H,1H3,(H2,28,29,33,35)