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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(phenylmethyl)sulfinyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-benzylsulfinyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-(phenylmethyl)sulfinylanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-benzylsulfinyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-benzylsulfinyl-2-(carbomethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C19H20N4O5S3 MolecularWeight: 480.5809

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CC2=CC=CC=C2)NC(=S)NC(=O)OC

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CC2=CC=CC=C2)NC(=S)NC(=O)OC

InChI

InChI=1S/C19H20N4O5S3/c1-27-18(24)22-16(29)20-14-9-8-13(31(26)11-12-6-4-3-5-7-12)10-15(14)21-17(30)23-19(25)28-2/h3-10H,11H2,1-2H3,(H2,20,22,24,29)(H2,21,23,25,30)