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

Systemtic Name: methyl N-[(2-azanyl-4-prop-2-ynylsulfanyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-amino-4-prop-2-ynylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-amino-4-(prop-2-ynylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-amino-4-prop-2-ynylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[2-amino-4-(propargylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SCC#C)N

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SCC#C)N

InChI

InChI=1S/C12H13N3O2S2/c1-3-6-19-8-4-5-10(9(13)7-8)14-11(18)15-12(16)17-2/h1,4-5,7H,6,13H2,2H3,(H2,14,15,16,18)