1-(3,4-dimethylphenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[4-(1-piperidylmethyl)phenyl]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[4-(1-piperidinylmethyl)phenyl]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[4-(piperidinomethyl)phenyl]thiourea Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)C

InChI

InChI=1S/C21H27N3S/c1-16-6-9-20(14-17(16)2)23-21(25)22-19-10-7-18(8-11-19)15-24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15H2,1-2H3,(H2,22,23,25)