N-[2-[4-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-yl]ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[4-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-yl]ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]piperazin-1-yl]ethyl]furan-2-carboxamide CAS Name: N-[2-[4-[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethyl]-1-piperazinyl]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]piperazin-1-yl]ethyl]furan-2-carboxamide Traditional Name: N-[2-[4-[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]piperazino]ethyl]-2-furamide Formula: C27H33N3O4S MolecularWeight: 495.63362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCN(CC4)CCNC(=O)C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCN(CC4)CCNC(=O)C5=CC=CO5

InChI

InChI=1S/C27H33N3O4S/c31-26(24-11-6-18-33-24)28-12-13-29-14-16-30(17-15-29)27(32)25-22(19-35-20-7-2-1-3-8-20)21-9-4-5-10-23(21)34-25/h4-6,9-11,18,20H,1-3,7-8,12-17,19H2,(H,28,31)