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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-prop-2-ynylsulfinyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-prop-2-ynylsulfinyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-prop-2-ynylsulfinylanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-prop-2-ynylsulfinylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-4-propargylsulfinyl-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C15H16N4O5S3 MolecularWeight: 428.50634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O5S3/c1-4-7-27(22)9-5-6-10(16-12(25)18-14(20)23-2)11(8-9)17-13(26)19-15(21)24-3/h1,5-6,8H,7H2,2-3H3,(H2,16,18,20,25)(H2,17,19,21,26)