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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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