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

Systemtic Name: 1-[(2-methylphenyl)methyl]-5-[methyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]azepan-2-one Openeye Name: 5-[methyl-[(4-phenylthiazol-2-yl)methyl]amino]-1-(o-tolylmethyl)azepan-2-one CAS Name: 1-[(2-methylphenyl)methyl]-5-[methyl-[(4-phenyl-2-thiazolyl)methyl]amino]-2-azepanone IUPAC Name: 1-[(2-methylphenyl)methyl]-5-[methyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]azepan-2-one Traditional Name: 1-(2-methylbenzyl)-5-[methyl-[(4-phenylthiazol-2-yl)methyl]amino]azepan-2-one Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC(CCC2=O)N(C)CC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN2CCC(CCC2=O)N(C)CC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3OS/c1-19-8-6-7-11-21(19)16-28-15-14-22(12-13-25(28)29)27(2)17-24-26-23(18-30-24)20-9-4-3-5-10-20/h3-11,18,22H,12-17H2,1-2H3