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

Systemtic Name: 1-butyl-3-[(4-chlorophenyl)methyl]thiourea Openeye Name: 1-butyl-3-[(4-chlorophenyl)methyl]thiourea CAS Name: 1-butyl-3-[(4-chlorophenyl)methyl]thiourea IUPAC Name: 1-butyl-3-[(4-chlorophenyl)methyl]thiourea Traditional Name: 1-butyl-3-(4-chlorobenzyl)thiourea Formula: C12H17ClN2S MolecularWeight: 256.79478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCCNC(=S)NCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H17ClN2S/c1-2-3-8-14-12(16)15-9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H2,14,15,16)