N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=CC=CC(=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=CC=CC(=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N6O2S/c1-15-20(31-27-26-15)21(29)25-19-5-2-4-17(12-19)14-28(11-3-10-23)22(30)18-8-6-16(13-24)7-9-18/h2,4-9,12H,3,10-11,14,23H2,1H3,(H,25,29)