azepan-1-yl-[1-[[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]carbonyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]carbonyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[3-[(4-methylthiazol-2-yl)sulfanylmethyl]benzofuran-2-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[3-[[(4-methyl-2-thiazolyl)thio]methyl]-2-benzofuranyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carbonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[3-[[(4-methylthiazol-2-yl)thio]methyl]benzofuran-2-carbonyl]-4-piperidyl]methanone Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCC(CC4)C(=O)N5CCCCCC5

Isomeric SMILES

CC1=CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCC(CC4)C(=O)N5CCCCCC5

InChI

InChI=1S/C26H31N3O3S2/c1-18-16-33-26(27-18)34-17-21-20-8-4-5-9-22(20)32-23(21)25(31)29-14-10-19(11-15-29)24(30)28-12-6-2-3-7-13-28/h4-5,8-9,16,19H,2-3,6-7,10-15,17H2,1H3