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

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]pentanamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]pentanamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]pentanamide Traditional Name: N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]valeramide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C20H23N5O2S/c1-3-5-6-19(26)22-20(28)21-14-7-12-17-18(13-14)24-25(23-17)15-8-10-16(11-9-15)27-4-2/h7-13H,3-6H2,1-2H3,(H2,21,22,26,28)