2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethylsulfanyl]ethyl 4-(1-benzofuran-2-ylmethyl)piperazine-1-carboxylate

Systemtic Name: 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethylsulfanyl]ethyl 4-(1-benzofuran-2-ylmethyl)piperazine-1-carboxylate Openeye Name: 2-[2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethylsulfanyl]ethyl 4-(benzofuran-2-ylmethyl)piperazine-1-carboxylate CAS Name: 4-(2-benzofuranylmethyl)-1-piperazinecarboxylic acid 2-[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]ethylthio]ethyl ester IUPAC Name: 2-[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]ethylsulfanyl]ethyl 4-(1-benzofuran-2-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-(benzofuran-2-ylmethyl)piperazine-1-carboxylic acid 2-[2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethylthio]ethyl ester Formula: C27H28ClN3O4S2 MolecularWeight: 558.11192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3O2)C(=O)OCCSCCNC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3O2)C(=O)OCCSCCNC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C27H28ClN3O4S2/c28-24-21-6-2-4-8-23(21)37-25(24)26(32)29-9-15-36-16-14-34-27(33)31-12-10-30(11-13-31)18-20-17-19-5-1-3-7-22(19)35-20/h1-8,17H,9-16,18H2,(H,29,32)