1-(4-butylphenyl)-3-(3-methylbutanoylamino)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(3-methylbutanoylamino)thiourea Openeye Name: 1-(4-butylphenyl)-3-(3-methylbutanoylamino)thiourea CAS Name: 1-(4-butylphenyl)-3-[(3-methyl-1-oxobutyl)amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-(3-methylbutanoylamino)thiourea Traditional Name: 1-(4-butylphenyl)-3-(isovalerylamino)thiourea Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CC(C)C

InChI

InChI=1S/C16H25N3OS/c1-4-5-6-13-7-9-14(10-8-13)17-16(21)19-18-15(20)11-12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H,18,20)(H2,17,19,21)