5-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-benzyl-5-[(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(5-chloro-1-propyl-2-benzimidazolyl)thio]methyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-benzyl-5-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-benzyl-5-[[(5-chloro-1-propyl-benzimidazol-2-yl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C21H20ClN5OS2 MolecularWeight: 457.9994

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=NN=C(S3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=NN=C(S3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5OS2/c1-2-10-27-17-9-8-15(22)11-16(17)24-21(27)29-13-18-25-26-20(30-18)19(28)23-12-14-6-4-3-5-7-14/h3-9,11H,2,10,12-13H2,1H3,(H,23,28)