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

Systemtic Name: N-[3-[[3-azanylpropyl-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[3-[[3-aminopropyl-[(4-methoxyphenyl)-oxomethyl]amino]methyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[3-[[3-aminopropyl(p-anisoyl)amino]methyl]phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3S/c1-15-20(31-26-25-15)21(28)24-18-6-3-5-16(13-18)14-27(12-4-11-23)22(29)17-7-9-19(30-2)10-8-17/h3,5-10,13H,4,11-12,14,23H2,1-2H3,(H,24,28)