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

Systemtic Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: 2-(benzylcarbamoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-2-[[oxo-[(phenylmethyl)amino]methyl]amino]-3-phenylpropanamide IUPAC Name: 2-(benzylcarbamoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: 2-(benzylcarbamoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C27H28N6O2S MolecularWeight: 500.61522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H28N6O2S/c1-33(2)22-15-13-21(14-16-22)25-31-32-27(36-25)30-24(34)23(17-19-9-5-3-6-10-19)29-26(35)28-18-20-11-7-4-8-12-20/h3-16,23H,17-18H2,1-2H3,(H2,28,29,35)(H,30,32,34)