2-[4-(5-methylsulfanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(5-methylsulfanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(5-methylsulfanylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[[5-(methylthio)-2-thiophenyl]-oxomethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(5-methylsulfanylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[5-(methylthio)thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-26-19-9-8-17(27-19)20(25)23-11-5-10-22(12-13-23)15-18(24)21-14-16-6-3-2-4-7-16/h2-4,6-9H,5,10-15H2,1H3,(H,21,24)