2-chloranyl-N-(4-ethanoylpiperazin-1-yl)carbothioyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(4-ethanoylpiperazin-1-yl)carbothioyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(4-acetylpiperazine-1-carbothioyl)-2-chloro-5-morpholinosulfonyl-benzamide CAS Name: N-[(4-acetyl-1-piperazinyl)-sulfanylidenemethyl]-2-chloro-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(4-acetylpiperazine-1-carbothioyl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(4-acetylpiperazine-1-carbothioyl)-2-chloro-5-morpholinosulfonyl-benzamide Formula: C18H23ClN4O5S2 MolecularWeight: 474.98202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=S)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=S)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C18H23ClN4O5S2/c1-13(24)21-4-6-22(7-5-21)18(29)20-17(25)15-12-14(2-3-16(15)19)30(26,27)23-8-10-28-11-9-23/h2-3,12H,4-11H2,1H3,(H,20,25,29)