N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]-2-naphthamide Formula: C28H25N5O3S MolecularWeight: 511.5948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC)C

InChI

InChI=1S/C28H25N5O3S/c1-4-36-21-11-9-20(10-12-21)33-31-24-13-17(2)23(16-25(24)32-33)29-28(37)30-27(34)22-14-18-7-5-6-8-19(18)15-26(22)35-3/h5-16H,4H2,1-3H3,(H2,29,30,34,37)