N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]-1-naphthamide Formula: C26H21N5O2S MolecularWeight: 467.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H21N5O2S/c1-2-33-20-13-11-19(12-14-20)31-29-23-15-10-18(16-24(23)30-31)27-26(34)28-25(32)22-9-5-7-17-6-3-4-8-21(17)22/h3-16H,2H2,1H3,(H2,27,28,32,34)