ethyl 4-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C18H20ClN3O4S3 MolecularWeight: 474.0171

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H20ClN3O4S3/c1-2-26-17(23)13-3-5-14(6-4-13)20-18(27)21-9-11-22(12-10-21)29(24,25)16-8-7-15(19)28-16/h3-8H,2,9-12H2,1H3,(H,20,27)