ethyl N'-butyl-N-[(4-chlorophenyl)carbamothioyl]carbamimidothioate

Systemtic Name: ethyl N'-butyl-N-[(4-chlorophenyl)carbamothioyl]carbamimidothioate Openeye Name: 1-(N-butyl-C-ethylsulfanyl-carbonimidoyl)-3-(4-chlorophenyl)thiourea CAS Name: N'-butyl-N-[(4-chloroanilino)-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-butyl-N-[(4-chlorophenyl)carbamothioyl]carbamimidothioate Traditional Name: 1-[N-butyl-C-(ethylthio)carbonimidoyl]-3-(4-chlorophenyl)thiourea Formula: C14H20ClN3S2 MolecularWeight: 329.9117

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NC(=S)NC1=CC=C(C=C1)Cl)SCC

Isomeric SMILES

CCCCN=C(NC(=S)NC1=CC=C(C=C1)Cl)SCC

InChI

InChI=1S/C14H20ClN3S2/c1-3-5-10-16-14(20-4-2)18-13(19)17-12-8-6-11(15)7-9-12/h6-9H,3-5,10H2,1-2H3,(H2,16,17,18,19)