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

Systemtic Name: methyl N-[(2-azanyl-4-prop-2-ynylsulfinyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-amino-4-prop-2-ynylsulfinyl-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-amino-4-prop-2-ynylsulfinylanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-amino-4-prop-2-ynylsulfinylphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-amino-4-propargylsulfinyl-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S2/c1-3-6-20(17)8-4-5-10(9(13)7-8)14-11(19)15-12(16)18-2/h1,4-5,7H,6,13H2,2H3,(H2,14,15,16,19)