1-heptyl-3-[(4-methylphenyl)methyl]thiourea

Systemtic Name: 1-heptyl-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-heptyl-3-(p-tolylmethyl)thiourea CAS Name: 1-heptyl-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-heptyl-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-heptyl-3-(4-methylbenzyl)thiourea Formula: C16H26N2S MolecularWeight: 278.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NCC1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCNC(=S)NCC1=CC=C(C=C1)C

InChI

InChI=1S/C16H26N2S/c1-3-4-5-6-7-12-17-16(19)18-13-15-10-8-14(2)9-11-15/h8-11H,3-7,12-13H2,1-2H3,(H2,17,18,19)