1-(4-butan-2-ylphenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Openeye Name: 1-[4-(1-piperidylmethyl)phenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[4-(1-piperidinylmethyl)phenyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Traditional Name: 1-[4-(piperidinomethyl)phenyl]-3-(4-sec-butylphenyl)thiourea Formula: C23H31N3S MolecularWeight: 381.57734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3S/c1-3-18(2)20-9-13-22(14-10-20)25-23(27)24-21-11-7-19(8-12-21)17-26-15-5-4-6-16-26/h7-14,18H,3-6,15-17H2,1-2H3,(H2,24,25,27)