N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-[(phenylmethyl)carbamoyl-propyl-amino]propanamide

Systemtic Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-[(phenylmethyl)carbamoyl-propyl-amino]propanamide Openeye Name: 3-[benzylcarbamoyl(propyl)amino]-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-[[oxo-[(phenylmethyl)amino]methyl]-propylamino]propanamide IUPAC Name: 3-[benzylcarbamoyl(propyl)amino]-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-[benzylcarbamoyl(propyl)amino]-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]propionamide Formula: C22H24BrN5O2S MolecularWeight: 502.42726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)NC1=NN=C(S1)C2=CC(=CC=C2)Br)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCN(CCC(=O)NC1=NN=C(S1)C2=CC(=CC=C2)Br)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H24BrN5O2S/c1-2-12-28(22(30)24-15-16-7-4-3-5-8-16)13-11-19(29)25-21-27-26-20(31-21)17-9-6-10-18(23)14-17/h3-10,14H,2,11-13,15H2,1H3,(H,24,30)(H,25,27,29)