N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]-4-propoxy-benzamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3S/c1-3-15-33-21-10-5-17(6-11-21)24(31)27-25(34)26-18-7-14-22-23(16-18)29-30(28-22)19-8-12-20(13-9-19)32-4-2/h5-14,16H,3-4,15H2,1-2H3,(H2,26,27,31,34)