N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-butyl-2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide CAS Name: N-butyl-2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: N-butyl-2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: N-butyl-2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]-N-(1,1-diketothiolan-3-yl)acetamide Formula: C20H28ClN3O3S2 MolecularWeight: 458.03762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(N2CCC)C=CC(=C3)Cl

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(N2CCC)C=CC(=C3)Cl

InChI

InChI=1S/C20H28ClN3O3S2/c1-3-5-10-23(16-8-11-29(26,27)14-16)19(25)13-28-20-22-17-12-15(21)6-7-18(17)24(20)9-4-2/h6-7,12,16H,3-5,8-11,13-14H2,1-2H3