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

Systemtic Name: butyl N-[[2-(butoxycarbonylcarbamothioylamino)-4-propylsulfinyl-phenyl]carbamothioyl]carbamate Openeye Name: butyl N-[[2-(butoxycarbonylcarbamothioylamino)-4-propylsulfinyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[[[butoxy(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-propylsulfinylanilino]-sulfanylidenemethyl]carbamic acid butyl ester IUPAC Name: butyl N-[[2-(butoxycarbonylcarbamothioylamino)-4-propylsulfinylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(butoxycarbonylthiocarbamoylamino)-4-propylsulfinyl-phenyl]thiocarbamoyl]carbamic acid butyl ester Formula: C21H32N4O5S3 MolecularWeight: 516.69758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCC)NC(=S)NC(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCC)NC(=S)NC(=O)OCCCC

InChI

InChI=1S/C21H32N4O5S3/c1-4-7-11-29-20(26)24-18(31)22-16-10-9-15(33(28)13-6-3)14-17(16)23-19(32)25-21(27)30-12-8-5-2/h9-10,14H,4-8,11-13H2,1-3H3,(H2,22,24,26,31)(H2,23,25,27,32)