1-[(2-methylphenyl)methyl]-5-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]azepan-2-one

Systemtic Name: 1-[(2-methylphenyl)methyl]-5-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]azepan-2-one Openeye Name: 5-[methyl-[[2-(2-thienyl)thiazol-4-yl]methyl]amino]-1-(o-tolylmethyl)azepan-2-one CAS Name: 1-[(2-methylphenyl)methyl]-5-[methyl-[(2-thiophen-2-yl-4-thiazolyl)methyl]amino]-2-azepanone IUPAC Name: 1-[(2-methylphenyl)methyl]-5-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]azepan-2-one Traditional Name: 1-(2-methylbenzyl)-5-[methyl-[[2-(2-thienyl)thiazol-4-yl]methyl]amino]azepan-2-one Formula: C23H27N3OS2 MolecularWeight: 425.60998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC(CCC2=O)N(C)CC3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1CN2CCC(CCC2=O)N(C)CC3=CSC(=N3)C4=CC=CS4

InChI

InChI=1S/C23H27N3OS2/c1-17-6-3-4-7-18(17)14-26-12-11-20(9-10-22(26)27)25(2)15-19-16-29-23(24-19)21-8-5-13-28-21/h3-8,13,16,20H,9-12,14-15H2,1-2H3