(4-oxidanylidene-4-phenylazanyl-butan-2-yl) N'-(5-chloranylthiophen-2-yl)sulfonyl-N-methanoyl-N-phenyl-carbamimidothioate

Systemtic Name: (4-oxidanylidene-4-phenylazanyl-butan-2-yl) N'-(5-chloranylthiophen-2-yl)sulfonyl-N-methanoyl-N-phenyl-carbamimidothioate Openeye Name: 3-[(E)-N'-[(5-chloro-2-thienyl)sulfonyl]-N-formyl-N-phenyl-carbamimidoyl]sulfanyl-N-phenyl-butanamide CAS Name: N'-[(5-chloro-2-thiophenyl)sulfonyl]-N-formyl-N-phenylcarbamimidothioic acid (4-anilino-4-oxobutan-2-yl) ester IUPAC Name: (4-anilino-4-oxobutan-2-yl) N'-(5-chlorothiophen-2-yl)sulfonyl-N-formyl-N-phenylcarbamimidothioate Traditional Name: 3-[[(E)-N'-[(5-chloro-2-thienyl)sulfonyl]-N-formyl-N-phenyl-amidino]thio]-N-phenyl-butyramide Formula: C22H20ClN3O4S3 MolecularWeight: 522.0599

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC=C1)SC(=NS(=O)(=O)C2=CC=C(S2)Cl)N(C=O)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)NC1=CC=CC=C1)S/C(=N/S(=O)(=O)C2=CC=C(S2)Cl)/N(C=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20ClN3O4S3/c1-16(14-20(28)24-17-8-4-2-5-9-17)31-22(26(15-27)18-10-6-3-7-11-18)25-33(29,30)21-13-12-19(23)32-21/h2-13,15-16H,14H2,1H3,(H,24,28)/b25-22+