O-butyl N-[4-[4-(butoxycarbothioylamino)phenyl]sulfonylphenyl]carbamothioate

Systemtic Name: O-butyl N-[4-[4-(butoxycarbothioylamino)phenyl]sulfonylphenyl]carbamothioate Openeye Name: O-butyl N-[4-[4-(butoxycarbothioylamino)phenyl]sulfonylphenyl]carbamothioate CAS Name: N-[4-[4-[[butoxy(sulfanylidene)methyl]amino]phenyl]sulfonylphenyl]carbamothioic acid O-butyl ester IUPAC Name: O-butyl N-[4-[4-(butoxycarbothioylamino)phenyl]sulfonylphenyl]carbamothioate Traditional Name: N-[4-[4-(butoxycarbothioylamino)phenyl]sulfonylphenyl]thiocarbamic acid O-butyl ester Formula: C22H28N2O4S3 MolecularWeight: 480.66372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=S)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)OCCCC

Isomeric SMILES

CCCCOC(=S)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)OCCCC

InChI

InChI=1S/C22H28N2O4S3/c1-3-5-15-27-21(29)23-17-7-11-19(12-8-17)31(25,26)20-13-9-18(10-14-20)24-22(30)28-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H,23,29)(H,24,30)