methyl N-[(2-acetamido-5-butylsulfonyl-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-acetamido-5-butylsulfonyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-acetamido-5-butylsulfonyl-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-acetamido-5-butylsulfonylanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-acetamido-5-butylsulfonylphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-acetamido-5-butylsulfonyl-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C15H21N3O5S2 MolecularWeight: 387.47434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5S2/c1-4-5-8-25(21,22)11-6-7-12(16-10(2)19)13(9-11)17-14(24)18-15(20)23-3/h6-7,9H,4-5,8H2,1-3H3,(H,16,19)(H2,17,18,20,24)