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

Systemtic Name: 2-(2-phenoxyethylsulfanyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-phenoxyethylsulfanyl)-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-phenoxyethylthio)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-phenoxyethylsulfanyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-phenoxyethylthio)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC3=CSC=C3

InChI

InChI=1S/C20H26N2O2S2/c23-20(17-26-14-12-24-19-5-2-1-3-6-19)22-9-4-8-21(10-11-22)15-18-7-13-25-16-18/h1-3,5-7,13,16H,4,8-12,14-15,17H2