4-[3-(3-oxidanylidenebutyl)-5-(phenylmethyl)-2-sulfanylidene-benzimidazol-1-yl]butan-2-one

Systemtic Name: 4-[3-(3-oxidanylidenebutyl)-5-(phenylmethyl)-2-sulfanylidene-benzimidazol-1-yl]butan-2-one Openeye Name: 4-[5-benzyl-3-(3-oxobutyl)-2-thioxo-benzimidazol-1-yl]butan-2-one CAS Name: 4-[3-(3-oxobutyl)-5-(phenylmethyl)-2-sulfanylidene-1-benzimidazolyl]-2-butanone IUPAC Name: 4-[5-benzyl-3-(3-oxobutyl)-2-sulfanylidenebenzimidazol-1-yl]butan-2-one Traditional Name: 4-[5-benzyl-3-(3-ketobutyl)-2-thioxo-benzimidazol-1-yl]butan-2-one Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C2=C(C=C(C=C2)CC3=CC=CC=C3)N(C1=S)CCC(=O)C

Isomeric SMILES

CC(=O)CCN1C2=C(C=C(C=C2)CC3=CC=CC=C3)N(C1=S)CCC(=O)C

InChI

InChI=1S/C22H24N2O2S/c1-16(25)10-12-23-20-9-8-19(14-18-6-4-3-5-7-18)15-21(20)24(22(23)27)13-11-17(2)26/h3-9,15H,10-14H2,1-2H3