1-(3-methylbutyl)-3-[(4-methylphenyl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[(4-methylphenyl)carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[(4-methylbenzoyl)amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[(4-methylphenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(4-methylbenzoyl)amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-isoamyl-3-(p-toluoylamino)thiourea Formula: C14H21N3OS MolecularWeight: 279.40104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C14H21N3OS/c1-10(2)8-9-15-14(19)17-16-13(18)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,16,18)(H2,15,17,19)