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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3-methylphenyl)carbamoylamino]-3-phenyl-propanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(m-tolylcarbamoylamino)-3-phenyl-propanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[[(3-methylanilino)-oxomethyl]amino]-3-phenylpropanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(m-tolylcarbamoylamino)-3-phenyl-propionamide Formula: C25H22BrN5O2S MolecularWeight: 536.44348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H22BrN5O2S/c1-16-6-5-9-20(14-16)27-24(33)28-21(15-17-7-3-2-4-8-17)22(32)29-25-31-30-23(34-25)18-10-12-19(26)13-11-18/h2-14,21H,15H2,1H3,(H2,27,28,33)(H,29,31,32)