1-[(4-fluorophenyl)methyl]-3-(3-methylbutylcarbamothioylamino)thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-(3-methylbutylcarbamothioylamino)thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-(isopentylcarbamothioylamino)thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-(3-methylbutylcarbamothioylamino)thiourea Traditional Name: 1-(4-fluorobenzyl)-3-(isoamylthiocarbamoylamino)thiourea Formula: C14H21FN4S2 MolecularWeight: 328.471743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=S)NCC1=CC=C(C=C1)F

Isomeric SMILES

CC(C)CCNC(=S)NNC(=S)NCC1=CC=C(C=C1)F

InChI

InChI=1S/C14H21FN4S2/c1-10(2)7-8-16-13(20)18-19-14(21)17-9-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H2,16,18,20)(H2,17,19,21)