methyl N-[(2-acetamido-4-butylsulfanyl-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-acetamido-4-butylsulfanyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-acetamido-4-butylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-acetamido-4-(butylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-acetamido-4-butylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[2-acetamido-4-(butylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C15H21N3O3S2 MolecularWeight: 355.47554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=O)C

Isomeric SMILES

CCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=O)C

InChI

InChI=1S/C15H21N3O3S2/c1-4-5-8-23-11-6-7-12(13(9-11)16-10(2)19)17-14(22)18-15(20)21-3/h6-7,9H,4-5,8H2,1-3H3,(H,16,19)(H2,17,18,20,22)