N-[5-(1H-benzimidazol-2-ylmethyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxy-benzamide

Systemtic Name: N-[5-(1H-benzimidazol-2-ylmethyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxy-benzamide Openeye Name: N-[5-(1H-benzimidazol-2-ylmethyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxy-benzamide CAS Name: N-[5-(1H-benzimidazol-2-ylmethyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide IUPAC Name: N-[5-(1H-benzimidazol-2-ylmethyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide Traditional Name: N-[5-(1H-benzimidazol-2-ylmethyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxy-benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=NC4=CC=CC=C4N3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=NC4=CC=CC=C4N3)OCC

InChI

InChI=1S/C21H21N5O3S/c1-3-28-16-10-9-13(11-17(16)29-4-2)20(27)24-21-26-25-19(30-21)12-18-22-14-7-5-6-8-15(14)23-18/h5-11H,3-4,12H2,1-2H3,(H,22,23)(H,24,26,27)