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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

InChI

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