1-heptan-2-yl-3-phenethyl-thiourea

Systemtic Name: 1-heptan-2-yl-3-phenethyl-thiourea Openeye Name: 1-(1-methylhexyl)-3-phenethyl-thiourea CAS Name: 1-heptan-2-yl-3-phenethylthiourea IUPAC Name: 1-heptan-2-yl-3-phenethylthiourea Traditional Name: 1-(1-methylhexyl)-3-phenethyl-thiourea Formula: C16H26N2S MolecularWeight: 278.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NCCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(C)NC(=S)NCCC1=CC=CC=C1

InChI

InChI=1S/C16H26N2S/c1-3-4-6-9-14(2)18-16(19)17-13-12-15-10-7-5-8-11-15/h5,7-8,10-11,14H,3-4,6,9,12-13H2,1-2H3,(H2,17,18,19)