3-butyl-1-[2-(butylcarbamothioylamino)phenyl]-1-phenyl-thiourea

Systemtic Name: 3-butyl-1-[2-(butylcarbamothioylamino)phenyl]-1-phenyl-thiourea Openeye Name: 3-butyl-1-[2-(butylcarbamothioylamino)phenyl]-1-phenyl-thiourea CAS Name: 3-butyl-1-[2-[[butylamino(sulfanylidene)methyl]amino]phenyl]-1-phenylthiourea IUPAC Name: 3-butyl-1-[2-(butylcarbamothioylamino)phenyl]-1-phenylthiourea Traditional Name: 3-butyl-1-[2-(butylthiocarbamoylamino)phenyl]-1-phenyl-thiourea Formula: C22H30N4S2 MolecularWeight: 414.6304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=CC=C1N(C2=CC=CC=C2)C(=S)NCCCC

Isomeric SMILES

CCCCNC(=S)NC1=CC=CC=C1N(C2=CC=CC=C2)C(=S)NCCCC

InChI

InChI=1S/C22H30N4S2/c1-3-5-16-23-21(27)25-19-14-10-11-15-20(19)26(18-12-8-7-9-13-18)22(28)24-17-6-4-2/h7-15H,3-6,16-17H2,1-2H3,(H,24,28)(H2,23,25,27)