butyl N-[(2-acetamido-4-butylsulfinyl-phenyl)carbamothioyl]carbamate

Systemtic Name: butyl N-[(2-acetamido-4-butylsulfinyl-phenyl)carbamothioyl]carbamate Openeye Name: butyl N-[(2-acetamido-4-butylsulfinyl-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-acetamido-4-butylsulfinylanilino)-sulfanylidenemethyl]carbamic acid butyl ester IUPAC Name: butyl N-[(2-acetamido-4-butylsulfinylphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-acetamido-4-butylsulfinyl-phenyl)thiocarbamoyl]carbamic acid butyl ester Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCCC)NC(=O)C

Isomeric SMILES

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCCC)NC(=O)C

InChI

InChI=1S/C18H27N3O4S2/c1-4-6-10-25-18(23)21-17(26)20-15-9-8-14(27(24)11-7-5-2)12-16(15)19-13(3)22/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,22)(H2,20,21,23,26)