1-(4-butyl-2-methyl-phenyl)-3-[3-[methyl(phenyl)amino]propyl]thiourea

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-[3-[methyl(phenyl)amino]propyl]thiourea Openeye Name: 1-(4-butyl-2-methyl-phenyl)-3-[3-(N-methylanilino)propyl]thiourea CAS Name: 1-(4-butyl-2-methylphenyl)-3-[3-(N-methylanilino)propyl]thiourea IUPAC Name: 1-(4-butyl-2-methylphenyl)-3-[3-(N-methylanilino)propyl]thiourea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-[3-(N-methylanilino)propyl]thiourea Formula: C22H31N3S MolecularWeight: 369.56664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NCCCN(C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NCCCN(C)C2=CC=CC=C2)C

InChI

InChI=1S/C22H31N3S/c1-4-5-10-19-13-14-21(18(2)17-19)24-22(26)23-15-9-16-25(3)20-11-7-6-8-12-20/h6-8,11-14,17H,4-5,9-10,15-16H2,1-3H3,(H2,23,24,26)