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

Systemtic Name: 2-phenyl-2-phenylsulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-phenyl-2-phenylsulfanyl-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-phenyl-2-(phenylthio)-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-phenyl-2-phenylsulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-phenyl-2-(phenylthio)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C23H25N3OS2 MolecularWeight: 423.5941

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC4=NC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC4=NC=CS4

InChI

InChI=1S/C23H25N3OS2/c27-23(26-14-7-13-25(15-16-26)18-21-24-12-17-28-21)22(19-8-3-1-4-9-19)29-20-10-5-2-6-11-20/h1-6,8-12,17,22H,7,13-16,18H2