butyl N-[[2-(butoxycarbonylcarbamothioylamino)-4-thiocyanato-phenyl]carbamothioyl]carbamate

Systemtic Name: butyl N-[[2-(butoxycarbonylcarbamothioylamino)-4-thiocyanato-phenyl]carbamothioyl]carbamate Openeye Name: butyl N-[[2-(butoxycarbonylcarbamothioylamino)-4-thiocyanato-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[[[butoxy(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-thiocyanatoanilino]-sulfanylidenemethyl]carbamic acid butyl ester IUPAC Name: butyl N-[[2-(butoxycarbonylcarbamothioylamino)-4-thiocyanatophenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(butoxycarbonylthiocarbamoylamino)-4-thiocyanato-phenyl]thiocarbamoyl]carbamic acid butyl ester Formula: C19H25N5O4S3 MolecularWeight: 483.6279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC#N)NC(=S)NC(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC#N)NC(=S)NC(=O)OCCCC

InChI

InChI=1S/C19H25N5O4S3/c1-3-5-9-27-18(25)23-16(29)21-14-8-7-13(31-12-20)11-15(14)22-17(30)24-19(26)28-10-6-4-2/h7-8,11H,3-6,9-10H2,1-2H3,(H2,21,23,25,29)(H2,22,24,26,30)