N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[(phenylmethyl)carbamoylamino]propanamide

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: 2-(benzylcarbamoylamino)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[[oxo-[(phenylmethyl)amino]methyl]amino]-3-phenylpropanamide IUPAC Name: 2-(benzylcarbamoylamino)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: 2-(benzylcarbamoylamino)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C25H22BrN5O2S MolecularWeight: 536.44348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Br)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Br)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H22BrN5O2S/c26-20-13-11-19(12-14-20)23-30-31-25(34-23)29-22(32)21(15-17-7-3-1-4-8-17)28-24(33)27-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H2,27,28,33)(H,29,31,32)