N-(2,6-dimethylphenyl)-2-[4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-thiophenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-1-yl]acetamide Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)CC3=C(C=CS3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)CC3=C(C=CS3)C

InChI

InChI=1S/C21H29N3OS/c1-16-8-13-26-19(16)14-23-9-5-10-24(12-11-23)15-20(25)22-21-17(2)6-4-7-18(21)3/h4,6-8,13H,5,9-12,14-15H2,1-3H3,(H,22,25)