N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-1-thiophen-2-yl-propyl]ethanamide

Systemtic Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-1-thiophen-2-yl-propyl]ethanamide Openeye Name: N-[3-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-3-oxo-1-(2-thienyl)propyl]acetamide CAS Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide IUPAC Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide Traditional Name: N-[3-keto-3-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]-1-(2-thienyl)propyl]acetamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CC(C3=CC=CS3)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CC(C3=CC=CS3)NC(=O)C

InChI

InChI=1S/C22H29N3O2S/c1-17-7-3-4-8-19(17)16-24-10-6-11-25(13-12-24)22(27)15-20(23-18(2)26)21-9-5-14-28-21/h3-5,7-9,14,20H,6,10-13,15-16H2,1-2H3,(H,23,26)