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

Systemtic Name: 3-(4-butylphenyl)-1-(2-cyanoethyl)-1-methyl-thiourea Openeye Name: 3-(4-butylphenyl)-1-(2-cyanoethyl)-1-methyl-thiourea CAS Name: 3-(4-butylphenyl)-1-(2-cyanoethyl)-1-methylthiourea IUPAC Name: 3-(4-butylphenyl)-1-(2-cyanoethyl)-1-methylthiourea Traditional Name: 3-(4-butylphenyl)-1-(2-cyanoethyl)-1-methyl-thiourea Formula: C15H21N3S MolecularWeight: 275.41234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3S/c1-3-4-6-13-7-9-14(10-8-13)17-15(19)18(2)12-5-11-16/h7-10H,3-6,12H2,1-2H3,(H,17,19)