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

Systemtic Name: phenethyl 2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C24H22ClN3O4S2 MolecularWeight: 516.03218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C24H22ClN3O4S2/c25-20-16-8-4-5-9-18(16)34-21(20)23(31)27-24(33)28-12-11-26-22(30)17(28)14-19(29)32-13-10-15-6-2-1-3-7-15/h1-9,17H,10-14H2,(H,26,30)(H,27,31,33)