1-butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea Openeye Name: 1-butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea CAS Name: 1-butyl-3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-butyl-3-[(4-chlorophenyl)carbamothioylamino]thiourea Traditional Name: 1-butyl-3-[(4-chlorophenyl)thiocarbamoylamino]thiourea Formula: C12H17ClN4S2 MolecularWeight: 316.87318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN4S2/c1-2-3-8-14-11(18)16-17-12(19)15-10-6-4-9(13)5-7-10/h4-7H,2-3,8H2,1H3,(H2,14,16,18)(H2,15,17,19)