1-(4-azanylbutyl)-3-[3-[(5-bromanylpyridin-2-yl)-(naphthalen-1-ylmethyl)amino]propyl]thiourea

Systemtic Name: 1-(4-azanylbutyl)-3-[3-[(5-bromanylpyridin-2-yl)-(naphthalen-1-ylmethyl)amino]propyl]thiourea Openeye Name: 1-(4-aminobutyl)-3-[3-[(5-bromo-2-pyridyl)-(1-naphthylmethyl)amino]propyl]thiourea CAS Name: 1-(4-aminobutyl)-3-[3-[(5-bromo-2-pyridinyl)-(1-naphthalenylmethyl)amino]propyl]thiourea IUPAC Name: 1-(4-aminobutyl)-3-[3-[(5-bromopyridin-2-yl)-(naphthalen-1-ylmethyl)amino]propyl]thiourea Traditional Name: 1-(4-aminobutyl)-3-[3-[(5-bromo-2-pyridyl)-(1-naphthylmethyl)amino]propyl]thiourea Formula: C24H30BrN5S MolecularWeight: 500.4975

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN(CCCNC(=S)NCCCCN)C3=NC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN(CCCNC(=S)NCCCCN)C3=NC=C(C=C3)Br

InChI

InChI=1S/C24H30BrN5S/c25-21-11-12-23(29-17-21)30(16-6-15-28-24(31)27-14-4-3-13-26)18-20-9-5-8-19-7-1-2-10-22(19)20/h1-2,5,7-12,17H,3-4,6,13-16,18,26H2,(H2,27,28,31)