cyclohexyl 2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[1-[(3-chlorobenzothiophene-2-carbonyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C22H24ClN3O4S2 MolecularWeight: 494.02666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H24ClN3O4S2/c23-18-14-8-4-5-9-16(14)32-19(18)21(29)25-22(31)26-11-10-24-20(28)15(26)12-17(27)30-13-6-2-1-3-7-13/h4-5,8-9,13,15H,1-3,6-7,10-12H2,(H,24,28)(H,25,29,31)