1-(4-butylphenyl)-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]thiourea Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-butylphenyl)thiourea CAS Name: 1-(4-butylphenyl)-3-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thiourea IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-butylphenyl)thiourea Traditional Name: 1-[2-(4-benzylpiperazino)ethyl]-3-(4-butylphenyl)thiourea Formula: C24H34N4S MolecularWeight: 410.61856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H34N4S/c1-2-3-7-21-10-12-23(13-11-21)26-24(29)25-14-15-27-16-18-28(19-17-27)20-22-8-5-4-6-9-22/h4-6,8-13H,2-3,7,14-20H2,1H3,(H2,25,26,29)