N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]-4-methylsulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]-4-methylsulfanyl-pyrrolidine-2-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]-4-methylsulfanyl-pyrrolidine-2-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]-4-(methylthio)-2-pyrrolidinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]-4-methylsulfanylpyrrolidine-2-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorobenzyl)-4-(methylthio)pyrrolidine-2-carboxamide Formula: C21H22Cl2N4OS MolecularWeight: 449.39658

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC(N(C1)CC2=C(C=C(C=C2)Cl)Cl)C(=O)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CSC1CC(N(C1)CC2=C(C=C(C=C2)Cl)Cl)C(=O)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H22Cl2N4OS/c1-29-15-9-19(27(12-15)11-13-6-7-14(22)8-16(13)23)21(28)24-10-20-25-17-4-2-3-5-18(17)26-20/h2-8,15,19H,9-12H2,1H3,(H,24,28)(H,25,26)