1-butyl-3-[4-[4-(butylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea

Systemtic Name: 1-butyl-3-[4-[4-(butylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea Openeye Name: 1-butyl-3-[4-[4-(butylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea CAS Name: 1-butyl-3-[4-[4-[[butylamino(sulfanylidene)methyl]amino]phenyl]sulfonylphenyl]thiourea IUPAC Name: 1-butyl-3-[4-[4-(butylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea Traditional Name: 1-butyl-3-[4-[4-(butylthiocarbamoylamino)phenyl]sulfonylphenyl]thiourea Formula: C22H30N4O2S3 MolecularWeight: 478.6942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCCC

Isomeric SMILES

CCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCCC

InChI

InChI=1S/C22H30N4O2S3/c1-3-5-15-23-21(29)25-17-7-11-19(12-8-17)31(27,28)20-13-9-18(10-14-20)26-22(30)24-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H2,23,25,29)(H2,24,26,30)