4-(benzotriazol-1-ylmethyl)-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[4-[4-(propanoylamino)phenyl]thiazol-2-yl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[4-[4-(1-oxopropylamino)phenyl]-2-thiazolyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(4-propionamidophenyl)thiazol-2-yl]benzamide Formula: C26H22N6O2S MolecularWeight: 482.55688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H22N6O2S/c1-2-24(33)27-20-13-11-18(12-14-20)22-16-35-26(28-22)29-25(34)19-9-7-17(8-10-19)15-32-23-6-4-3-5-21(23)30-31-32/h3-14,16H,2,15H2,1H3,(H,27,33)(H,28,29,34)