N-(4-chlorophenyl)-5-[[(phenylmethyl)-propan-2-yl-amino]methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-chlorophenyl)-5-[[(phenylmethyl)-propan-2-yl-amino]methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[[benzyl(isopropyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-chlorophenyl)-5-[[(phenylmethyl)-propan-2-ylamino]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[[benzyl(propan-2-yl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[benzyl(isopropyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-14(2)25(12-15-6-4-3-5-7-15)13-18-23-24-20(27-18)19(26)22-17-10-8-16(21)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,22,26)