(2-methoxy-4-methylsulfanyl-phenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C19H24N2O2S2 MolecularWeight: 376.53606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C19H24N2O2S2/c1-23-18-12-16(24-2)4-5-17(18)19(22)21-8-3-7-20(9-10-21)13-15-6-11-25-14-15/h4-6,11-12,14H,3,7-10,13H2,1-2H3