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

Systemtic Name: 2-quinoxalin-2-ylsulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-quinoxalin-2-ylsulfanyl-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-quinoxalinylthio)-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-quinoxalin-2-ylsulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(quinoxalin-2-ylthio)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C19H21N5OS2 MolecularWeight: 399.53294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC4=NC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC4=NC=CS4

InChI

InChI=1S/C19H21N5OS2/c25-19(14-27-17-12-21-15-4-1-2-5-16(15)22-17)24-8-3-7-23(9-10-24)13-18-20-6-11-26-18/h1-2,4-6,11-12H,3,7-10,13-14H2