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

Systemtic Name: 2-(2-phenoxyethylsulfanyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-phenoxyethylsulfanyl)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-phenoxyethylthio)-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-phenoxyethylsulfanyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-phenoxyethylthio)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C19H25N3O2S2 MolecularWeight: 391.5507

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC3=NC=CS3

InChI

InChI=1S/C19H25N3O2S2/c23-19(16-25-14-12-24-17-5-2-1-3-6-17)22-9-4-8-21(10-11-22)15-18-20-7-13-26-18/h1-3,5-7,13H,4,8-12,14-16H2