N-[5-[2-[(3-bromophenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-methoxy-benzamide

Systemtic Name: N-[5-[2-[(3-bromophenyl)carbonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-methoxy-benzamide Openeye Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-methoxy-benzamide CAS Name: N-[5-[2-[[(3-bromophenyl)-oxomethyl]amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide IUPAC Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide Traditional Name: N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-methoxy-benzamide Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CCNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CCNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H17BrN4O3S/c1-27-15-7-3-5-13(11-15)18(26)22-19-24-23-16(28-19)8-9-21-17(25)12-4-2-6-14(20)10-12/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,22,24,26)