4-(azepan-1-ylmethyl)-2-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-2-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-benzamide Openeye Name: 4-(azepan-1-ylmethyl)-2-(1,3,4-thiadiazol-2-yl)-3-(2-thienyl)benzamide CAS Name: 4-(1-azepanylmethyl)-2-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylbenzamide IUPAC Name: 4-(azepan-1-ylmethyl)-2-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylbenzamide Traditional Name: 4-(azepan-1-ylmethyl)-2-(1,3,4-thiadiazol-2-yl)-3-(2-thienyl)benzamide Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C(=C(C=C2)C(=O)N)C3=NN=CS3)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)CC2=C(C(=C(C=C2)C(=O)N)C3=NN=CS3)C4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c21-19(25)15-8-7-14(12-24-9-3-1-2-4-10-24)17(16-6-5-11-26-16)18(15)20-23-22-13-27-20/h5-8,11,13H,1-4,9-10,12H2,(H2,21,25)