N-[4-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]phenyl]sulfonylethanamide

Systemtic Name: N-[4-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]phenyl]sulfonylethanamide Openeye Name: N-[4-[(2-chloro-5-morpholinosulfonyl-phenyl)carbamothioylamino]phenyl]sulfonylacetamide CAS Name: N-[4-[[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]phenyl]sulfonylacetamide IUPAC Name: N-[4-[(2-chloro-5-morpholin-4-ylsulfonylphenyl)carbamothioylamino]phenyl]sulfonylacetamide Traditional Name: N-[4-[(2-chloro-5-morpholinosulfonyl-phenyl)thiocarbamoylamino]phenyl]sulfonylacetamide Formula: C19H21ClN4O6S3 MolecularWeight: 533.04124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C19H21ClN4O6S3/c1-13(25)23-32(26,27)15-4-2-14(3-5-15)21-19(31)22-18-12-16(6-7-17(18)20)33(28,29)24-8-10-30-11-9-24/h2-7,12H,8-11H2,1H3,(H,23,25)(H2,21,22,31)