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

Systemtic Name: 1-[4-[(4-bromophenyl)methyl-pyridin-2-yl-amino]butyl]-3-(3-phenylazanylpropyl)thiourea Openeye Name: 1-(3-anilinopropyl)-3-[4-[(4-bromophenyl)methyl-(2-pyridyl)amino]butyl]thiourea CAS Name: 1-(3-anilinopropyl)-3-[4-[(4-bromophenyl)methyl-(2-pyridinyl)amino]butyl]thiourea IUPAC Name: 1-(3-anilinopropyl)-3-[4-[(4-bromophenyl)methyl-pyridin-2-ylamino]butyl]thiourea Traditional Name: 1-(3-anilinopropyl)-3-[4-[(4-bromobenzyl)-(2-pyridyl)amino]butyl]thiourea Formula: C26H32BrN5S MolecularWeight: 526.53478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32BrN5S/c27-23-14-12-22(13-15-23)21-32(25-11-4-5-16-29-25)20-7-6-17-30-26(33)31-19-8-18-28-24-9-2-1-3-10-24/h1-5,9-16,28H,6-8,17-21H2,(H2,30,31,33)