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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(phenylsulfinyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-(benzenesulfinyl)-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[4-(benzenesulfinyl)-2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-(benzenesulfinyl)-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(benzenesulfinyl)-2-(carbomethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C18H18N4O5S3 MolecularWeight: 466.55432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S3/c1-26-17(23)21-15(28)19-13-9-8-12(30(25)11-6-4-3-5-7-11)10-14(13)20-16(29)22-18(24)27-2/h3-10H,1-2H3,(H2,19,21,23,28)(H2,20,22,24,29)