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

Systemtic Name: 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethylsulfanyl]ethyl 4-(2-ethylphenyl)piperazine-1-carboxylate Openeye Name: 2-[2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethylsulfanyl]ethyl 4-(2-ethylphenyl)piperazine-1-carboxylate CAS Name: 4-(2-ethylphenyl)-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-(2-ethylphenyl)piperazine-1-carboxylate Traditional Name: 4-(2-ethylphenyl)piperazine-1-carboxylic acid 2-[2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethylthio]ethyl ester Formula: C26H30ClN3O3S2 MolecularWeight: 532.1177

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CCN(CC2)C(=O)OCCSCCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCC1=CC=CC=C1N2CCN(CC2)C(=O)OCCSCCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C26H30ClN3O3S2/c1-2-19-7-3-5-9-21(19)29-12-14-30(15-13-29)26(32)33-16-18-34-17-11-28-25(31)24-23(27)20-8-4-6-10-22(20)35-24/h3-10H,2,11-18H2,1H3,(H,28,31)