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

Systemtic Name: 1-(4-butylphenyl)-3-[3-[methyl(phenyl)amino]propyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[3-(N-methylanilino)propyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[3-(N-methylanilino)propyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[3-(N-methylanilino)propyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[3-(N-methylanilino)propyl]thiourea Formula: C21H29N3S MolecularWeight: 355.54006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3S/c1-3-4-9-18-12-14-19(15-13-18)23-21(25)22-16-8-17-24(2)20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-17H2,1-2H3,(H2,22,23,25)