1-butyl-3-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]thiourea

Systemtic Name: 1-butyl-3-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]thiourea Openeye Name: 1-butyl-3-[(2-chloro-4,6-dimethyl-phenyl)carbamothioylamino]thiourea CAS Name: 1-butyl-3-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-butyl-3-[(2-chloro-4,6-dimethylphenyl)carbamothioylamino]thiourea Traditional Name: 1-butyl-3-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoylamino]thiourea Formula: C14H21ClN4S2 MolecularWeight: 344.92634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=S)NC1=C(C=C(C=C1Cl)C)C

Isomeric SMILES

CCCCNC(=S)NNC(=S)NC1=C(C=C(C=C1Cl)C)C

InChI

InChI=1S/C14H21ClN4S2/c1-4-5-6-16-13(20)18-19-14(21)17-12-10(3)7-9(2)8-11(12)15/h7-8H,4-6H2,1-3H3,(H2,16,18,20)(H2,17,19,21)