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

Systemtic Name: 1-butyl-3-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]thiourea Openeye Name: 1-butyl-3-[(3-chloro-4-methyl-phenyl)carbamothioylamino]thiourea CAS Name: 1-butyl-3-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-butyl-3-[(3-chloro-4-methylphenyl)carbamothioylamino]thiourea Traditional Name: 1-butyl-3-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]thiourea Formula: C13H19ClN4S2 MolecularWeight: 330.89976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=S)NC1=CC(=C(C=C1)C)Cl

Isomeric SMILES

CCCCNC(=S)NNC(=S)NC1=CC(=C(C=C1)C)Cl

InChI

InChI=1S/C13H19ClN4S2/c1-3-4-7-15-12(19)17-18-13(20)16-10-6-5-9(2)11(14)8-10/h5-6,8H,3-4,7H2,1-2H3,(H2,15,17,19)(H2,16,18,20)