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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-prop-2-ynylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-prop-2-ynylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-(prop-2-ynylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-prop-2-ynylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-4-(propargylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C15H16N4O4S3 MolecularWeight: 412.50694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O4S3/c1-4-7-26-9-5-6-10(16-12(24)18-14(20)22-2)11(8-9)17-13(25)19-15(21)23-3/h1,5-6,8H,7H2,2-3H3,(H2,16,18,20,24)(H2,17,19,21,25)