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

Systemtic Name: methyl N-[[4-butoxy-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-butoxy-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[4-butoxy-2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-butoxy-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-butoxy-2-(carbomethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H22N4O5S2 MolecularWeight: 414.49968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

InChI

InChI=1S/C16H22N4O5S2/c1-4-5-8-25-10-6-7-11(17-13(26)19-15(21)23-2)12(9-10)18-14(27)20-16(22)24-3/h6-7,9H,4-5,8H2,1-3H3,(H2,17,19,21,26)(H2,18,20,22,27)