1-[[3-bromanyl-5-[(butylcarbamothioylamino)methyl]phenyl]methyl]-3-butyl-thiourea

Systemtic Name: 1-[[3-bromanyl-5-[(butylcarbamothioylamino)methyl]phenyl]methyl]-3-butyl-thiourea Openeye Name: 1-[[3-bromo-5-[(butylcarbamothioylamino)methyl]phenyl]methyl]-3-butyl-thiourea CAS Name: 1-[[3-bromo-5-[[[butylamino(sulfanylidene)methyl]amino]methyl]phenyl]methyl]-3-butylthiourea IUPAC Name: 1-[[3-bromo-5-[(butylcarbamothioylamino)methyl]phenyl]methyl]-3-butylthiourea Traditional Name: 1-[3-bromo-5-[(butylthiocarbamoylamino)methyl]benzyl]-3-butyl-thiourea Formula: C18H29BrN4S2 MolecularWeight: 445.48366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCC1=CC(=CC(=C1)Br)CNC(=S)NCCCC

Isomeric SMILES

CCCCNC(=S)NCC1=CC(=CC(=C1)Br)CNC(=S)NCCCC

InChI

InChI=1S/C18H29BrN4S2/c1-3-5-7-20-17(24)22-12-14-9-15(11-16(19)10-14)13-23-18(25)21-8-6-4-2/h9-11H,3-8,12-13H2,1-2H3,(H2,20,22,24)(H2,21,23,25)