N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[4-[4-(butanoylamino)phenyl]thiazol-2-yl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[4-[4-(1-oxobutylamino)phenyl]-2-thiazolyl]-5-benzotriazolecarboxamide IUPAC Name: N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-[4-(4-butyramidophenyl)thiazol-2-yl]-1-ethyl-benzotriazole-5-carboxamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)N(N=N4)CC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)N(N=N4)CC

InChI

InChI=1S/C22H22N6O2S/c1-3-5-20(29)23-16-9-6-14(7-10-16)18-13-31-22(24-18)25-21(30)15-8-11-19-17(12-15)26-27-28(19)4-2/h6-13H,3-5H2,1-2H3,(H,23,29)(H,24,25,30)