methyl N-[(2-azanyl-4-pentylsulfanyl-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-azanyl-4-pentylsulfanyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-amino-4-pentylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-amino-4-(pentylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-amino-4-pentylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[2-amino-4-(amylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H21N3O2S2 MolecularWeight: 327.46544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)N

Isomeric SMILES

CCCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)N

InChI

InChI=1S/C14H21N3O2S2/c1-3-4-5-8-21-10-6-7-12(11(15)9-10)16-13(20)17-14(18)19-2/h6-7,9H,3-5,8,15H2,1-2H3,(H2,16,17,18,20)