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

Systemtic Name: 2-phenyl-2-phenylsulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-phenyl-2-phenylsulfanyl-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-phenyl-2-(phenylthio)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-phenyl-2-phenylsulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-phenyl-2-(phenylthio)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C24H26N2OS2 MolecularWeight: 422.60604

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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=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC4=CSC=C4

InChI

InChI=1S/C24H26N2OS2/c27-24(26-14-7-13-25(15-16-26)18-20-12-17-28-19-20)23(21-8-3-1-4-9-21)29-22-10-5-2-6-11-22/h1-6,8-12,17,19,23H,7,13-16,18H2