N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide Openeye Name: N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide CAS Name: N-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide IUPAC Name: N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide Traditional Name: N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)N3CCCCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)N3CCCCCC3

InChI

InChI=1S/C21H30N4O4S/c1-4-27-16-13-15(14-17(28-5-2)18(16)29-6-3)19(26)22-20-23-24-21(30-20)25-11-9-7-8-10-12-25/h13-14H,4-12H2,1-3H3,(H,22,23,26)