1-butyl-3-[2-(4-chlorophenyl)ethylcarbamothioylamino]thiourea

Systemtic Name: 1-butyl-3-[2-(4-chlorophenyl)ethylcarbamothioylamino]thiourea Openeye Name: 1-butyl-3-[2-(4-chlorophenyl)ethylcarbamothioylamino]thiourea CAS Name: 1-butyl-3-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-butyl-3-[2-(4-chlorophenyl)ethylcarbamothioylamino]thiourea Traditional Name: 1-butyl-3-[2-(4-chlorophenyl)ethylthiocarbamoylamino]thiourea Formula: C14H21ClN4S2 MolecularWeight: 344.92634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=S)NCCC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCCNC(=S)NNC(=S)NCCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H21ClN4S2/c1-2-3-9-16-13(20)18-19-14(21)17-10-8-11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H2,16,18,20)(H2,17,19,21)