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

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Formula: C18H23N3O2S2 MolecularWeight: 377.52412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C18H23N3O2S2/c1-23-16-12-14(24-2)4-5-15(16)18(22)21-8-3-7-20(9-10-21)13-17-19-6-11-25-17/h4-6,11-12H,3,7-10,13H2,1-2H3