1-(4-butylphenyl)-3-(2-cyanoethyl)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(2-cyanoethyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(2-cyanoethyl)thiourea CAS Name: 1-(4-butylphenyl)-3-(2-cyanoethyl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(2-cyanoethyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(2-cyanoethyl)thiourea Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCCC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCCC#N

InChI

InChI=1S/C14H19N3S/c1-2-3-5-12-6-8-13(9-7-12)17-14(18)16-11-4-10-15/h6-9H,2-5,11H2,1H3,(H2,16,17,18)