1-(4-butan-2-ylphenyl)-3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]thiourea Openeye Name: 1-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]thiourea Traditional Name: 1-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-3-(4-sec-butylphenyl)thiourea Formula: C18H25ClN4S MolecularWeight: 364.9359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NCCCN2C=C(C(=N2)C)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NCCCN2C=C(C(=N2)C)Cl

InChI

InChI=1S/C18H25ClN4S/c1-4-13(2)15-6-8-16(9-7-15)21-18(24)20-10-5-11-23-12-17(19)14(3)22-23/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,20,21,24)