1-heptan-2-yl-3-(1-phenylethyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2S/c1-4-5-7-10-13(2)17-16(19)18-14(3)15-11-8-6-9-12-15/h6,8-9,11-14H,4-5,7,10H2,1-3H3,(H2,17,18,19)