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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(phenylcarbonyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-benzoyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[4-benzoyl-2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-benzoyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-benzoyl-2-(carbomethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O5S2/c1-27-18(25)22-16(29)20-13-9-8-12(15(24)11-6-4-3-5-7-11)10-14(13)21-17(30)23-19(26)28-2/h3-10H,1-2H3,(H2,20,22,25,29)(H2,21,23,26,30)