2-(4-aminocarbonylphenyl)-5-butanoylimino-N-(phenylmethyl)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: 2-(4-aminocarbonylphenyl)-5-butanoylimino-N-(phenylmethyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-benzyl-5-butanoylimino-2-(4-carbamoylphenyl)thiadiazole-4-carboxamide CAS Name: 2-(4-carbamoylphenyl)-5-(1-oxobutylimino)-N-(phenylmethyl)-4-thiadiazolecarboxamide IUPAC Name: N-benzyl-5-butanoylimino-2-(4-carbamoylphenyl)thiadiazole-4-carboxamide Traditional Name: N-benzyl-5-butyrylimino-2-(4-carbamoylphenyl)thiadiazole-4-carboxamide Formula: C21H21N5O3S MolecularWeight: 423.48814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N=C1C(=NN(S1)C2=CC=C(C=C2)C(=O)N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)N=C1C(=NN(S1)C2=CC=C(C=C2)C(=O)N)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H21N5O3S/c1-2-6-17(27)24-21-18(20(29)23-13-14-7-4-3-5-8-14)25-26(30-21)16-11-9-15(10-12-16)19(22)28/h3-5,7-12H,2,6,13H2,1H3,(H2,22,28)(H,23,29)