methyl N-[[2-(methoxycarbonylcarbamothioylamino)-3-phenylmethoxy-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-3-phenylmethoxy-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-benzyloxy-6-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-3-phenylmethoxyanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-3-phenylmethoxyphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-benzoxy-6-(carbomethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C(=CC=C1)OCC2=CC=CC=C2)NC(=S)NC(=O)OC

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C(=CC=C1)OCC2=CC=CC=C2)NC(=S)NC(=O)OC

InChI

InChI=1S/C19H20N4O5S2/c1-26-18(24)22-16(29)20-13-9-6-10-14(28-11-12-7-4-3-5-8-12)15(13)21-17(30)23-19(25)27-2/h3-10H,11H2,1-2H3,(H2,20,22,24,29)(H2,21,23,25,30)