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

Systemtic Name: 2-quinoxalin-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-quinoxalin-2-ylsulfanyl-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-quinoxalinylthio)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-quinoxalin-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(quinoxalin-2-ylthio)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC4=CSC=C4

InChI

InChI=1S/C20H22N4OS2/c25-20(15-27-19-12-21-17-4-1-2-5-18(17)22-19)24-8-3-7-23(9-10-24)13-16-6-11-26-14-16/h1-2,4-6,11-12,14H,3,7-10,13,15H2