N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-5-(4-bromophenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-5-(4-bromophenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-5-(4-bromophenyl)isoxazole-3-carboxamide CAS Name: N-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-5-(4-bromophenyl)-3-isoxazolecarboxamide IUPAC Name: N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-5-(4-bromophenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-5-(4-bromophenyl)isoxazole-3-carboxamide Formula: C18H18BrN5O2S MolecularWeight: 448.33682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(S2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(S2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H18BrN5O2S/c19-13-7-5-12(6-8-13)15-11-14(23-26-15)16(25)20-17-21-22-18(27-17)24-9-3-1-2-4-10-24/h5-8,11H,1-4,9-10H2,(H,20,21,25)