2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-methyl-2-phenyl-thiazol-4-yl)-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-methyl-2-phenyl-4-thiazolyl)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(5-methyl-2-phenyl-thiazol-4-yl)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2=CC=CC=C2)CC(=O)N3CCCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC1=C(N=C(S1)C2=CC=CC=C2)CC(=O)N3CCCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C22H25N3OS2/c1-17-20(23-22(28-17)19-6-3-2-4-7-19)14-21(26)25-10-5-9-24(11-12-25)15-18-8-13-27-16-18/h2-4,6-8,13,16H,5,9-12,14-15H2,1H3