3-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylacetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]acetyl]amino]-N-methyl-benzamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)NC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)NC

InChI

InChI=1S/C20H21ClN4O2S/c1-3-9-25-17-8-7-14(21)11-16(17)24-20(25)28-12-18(26)23-15-6-4-5-13(10-15)19(27)22-2/h4-8,10-11H,3,9,12H2,1-2H3,(H,22,27)(H,23,26)