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

Systemtic Name: propyl N-[(2-acetamido-4-butylsulfinyl-phenyl)carbamothioyl]carbamate Openeye Name: propyl N-[(2-acetamido-4-butylsulfinyl-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-acetamido-4-butylsulfinylanilino)-sulfanylidenemethyl]carbamic acid propyl ester IUPAC Name: propyl N-[(2-acetamido-4-butylsulfinylphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-acetamido-4-butylsulfinyl-phenyl)thiocarbamoyl]carbamic acid propyl ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)C1=CC(=C(C=C1)NC(=S)NC(=O)OCCC)NC(=O)C

Isomeric SMILES

CCCCS(=O)C1=CC(=C(C=C1)NC(=S)NC(=O)OCCC)NC(=O)C

InChI

InChI=1S/C17H25N3O4S2/c1-4-6-10-26(23)13-7-8-14(15(11-13)18-12(3)21)19-16(25)20-17(22)24-9-5-2/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,21)(H2,19,20,22,25)