4-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-thiophen-2-yl-butan-1-one Openeye Name: 4-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-1-(2-thienyl)butan-1-one CAS Name: 4-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]-1-(2-thienyl)butan-1-one Formula: C21H25N3O4S3 MolecularWeight: 479.6359

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCCCC(=O)C4=CC=CS4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S3/c1-2-24-18-8-7-16(31(26,27)23-9-11-28-12-10-23)15-17(18)22-21(24)30-14-3-5-19(25)20-6-4-13-29-20/h4,6-8,13,15H,2-3,5,9-12,14H2,1H3