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

Systemtic Name: 1-butyl-3-[[4-[(butylcarbamothioylamino)methyl]phenyl]methyl]thiourea Openeye Name: 1-butyl-3-[[4-[(butylcarbamothioylamino)methyl]phenyl]methyl]thiourea CAS Name: 1-butyl-3-[[4-[[[butylamino(sulfanylidene)methyl]amino]methyl]phenyl]methyl]thiourea IUPAC Name: 1-butyl-3-[[4-[(butylcarbamothioylamino)methyl]phenyl]methyl]thiourea Traditional Name: 1-butyl-3-[4-[(butylthiocarbamoylamino)methyl]benzyl]thiourea Formula: C18H30N4S2 MolecularWeight: 366.5876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4S2/c1-3-5-11-19-17(23)21-13-15-7-9-16(10-8-15)14-22-18(24)20-12-6-4-2/h7-10H,3-6,11-14H2,1-2H3,(H2,19,21,23)(H2,20,22,24)