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

Systemtic Name: methyl N-[(2-acetamido-5-prop-2-ynylsulfinyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-acetamido-5-prop-2-ynylsulfinyl-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-acetamido-5-prop-2-ynylsulfinylanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-acetamido-5-prop-2-ynylsulfinylphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-acetamido-5-propargylsulfinyl-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C14H15N3O4S2 MolecularWeight: 353.4166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)CC#C)NC(=S)NC(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)CC#C)NC(=S)NC(=O)OC

InChI

InChI=1S/C14H15N3O4S2/c1-4-7-23(20)10-5-6-11(15-9(2)18)12(8-10)16-13(22)17-14(19)21-3/h1,5-6,8H,7H2,2-3H3,(H,15,18)(H2,16,17,19,22)