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

Systemtic Name: 3-[phenethyl-[(phenylmethyl)carbamoyl]amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-[benzylcarbamoyl(phenethyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-[[oxo-[(phenylmethyl)amino]methyl]-phenethylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-[benzylcarbamoyl(phenethyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-[benzylcarbamoyl(phenethyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCC(=O)NC2=NN=C(S2)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCC(=O)NC2=NN=C(S2)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H27N5O2S/c33-24(29-26-31-30-25(35-26)23-14-8-3-9-15-23)17-19-32(18-16-21-10-4-1-5-11-21)27(34)28-20-22-12-6-2-7-13-22/h1-15H,16-20H2,(H,28,34)(H,29,31,33)