1-[4-[(4-bromophenyl)methyl-pyridin-2-yl-amino]butyl]-3-(3-phenylpropyl)thiourea

Systemtic Name: 1-[4-[(4-bromophenyl)methyl-pyridin-2-yl-amino]butyl]-3-(3-phenylpropyl)thiourea Openeye Name: 1-[4-[(4-bromophenyl)methyl-(2-pyridyl)amino]butyl]-3-(3-phenylpropyl)thiourea CAS Name: 1-[4-[(4-bromophenyl)methyl-(2-pyridinyl)amino]butyl]-3-(3-phenylpropyl)thiourea IUPAC Name: 1-[4-[(4-bromophenyl)methyl-pyridin-2-ylamino]butyl]-3-(3-phenylpropyl)thiourea Traditional Name: 1-[4-[(4-bromobenzyl)-(2-pyridyl)amino]butyl]-3-(3-phenylpropyl)thiourea Formula: C26H31BrN4S MolecularWeight: 511.52014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=S)NCCCCN(CC2=CC=C(C=C2)Br)C3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=S)NCCCCN(CC2=CC=C(C=C2)Br)C3=CC=CC=N3

InChI

InChI=1S/C26H31BrN4S/c27-24-15-13-23(14-16-24)21-31(25-12-4-5-17-28-25)20-7-6-18-29-26(32)30-19-8-11-22-9-2-1-3-10-22/h1-5,9-10,12-17H,6-8,11,18-21H2,(H2,29,30,32)