1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-[2-(2-thienyl)thiazol-4-yl]ethanone CAS Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(2-thiophen-2-yl-4-thiazolyl)ethanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-[2-(2-thienyl)thiazol-4-yl]ethanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CSC(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CSC(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS2/c25-20(14-18-16-27-21(22-18)19-8-4-13-26-19)24-10-5-9-23(11-12-24)15-17-6-2-1-3-7-17/h1-4,6-8,13,16H,5,9-12,14-15H2