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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H26N4O3S2/c1-14(2)13-17-21-22-19(27-17)20-18(24)15-7-9-16(10-8-15)28(25,26)23-11-5-3-4-6-12-23/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,22,24)