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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-phenylmethoxy-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-benzyloxy-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-phenylmethoxyanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-phenylmethoxyphenyl]carbamothioyl]carbamate Traditional Name: N-[[4-benzoxy-2-(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=C(C=C1)OCC2=CC=CC=C2)NC(=S)NC(=O)OC

Isomeric SMILES

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

InChI

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