1-[2-[4-(5-azanyl-1,3-benzoxazol-2-yl)butyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea

Systemtic Name: 1-[2-[4-(5-azanyl-1,3-benzoxazol-2-yl)butyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Openeye Name: 1-[2-[4-(5-amino-1,3-benzoxazol-2-yl)butyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea CAS Name: 1-[2-[4-(5-amino-1,3-benzoxazol-2-yl)butyl]phenyl]-3-(6-phenyl-3-pyridazinyl)thiourea IUPAC Name: 1-[2-[4-(5-amino-1,3-benzoxazol-2-yl)butyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Traditional Name: 1-[2-[4-(5-amino-1,3-benzoxazol-2-yl)butyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Formula: C28H26N6OS MolecularWeight: 494.61064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3CCCCC4=NC5=C(O4)C=CC(=C5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3CCCCC4=NC5=C(O4)C=CC(=C5)N

InChI

InChI=1S/C28H26N6OS/c29-21-14-16-25-24(18-21)30-27(35-25)13-7-5-11-19-10-4-6-12-22(19)31-28(36)32-26-17-15-23(33-34-26)20-8-2-1-3-9-20/h1-4,6,8-10,12,14-18H,5,7,11,13,29H2,(H2,31,32,34,36)