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

Systemtic Name: methyl N-[[4-butylsulfanyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-butylsulfanyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[4-(butylthio)-2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-butylsulfanyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(butylthio)-2-(carbomethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H22N4O4S3 MolecularWeight: 430.56528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

Isomeric SMILES

CCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

InChI

InChI=1S/C16H22N4O4S3/c1-4-5-8-27-10-6-7-11(17-13(25)19-15(21)23-2)12(9-10)18-14(26)20-16(22)24-3/h6-7,9H,4-5,8H2,1-3H3,(H2,17,19,21,25)(H2,18,20,22,26)