3-[[4-[4-(acridin-9-ylamino)phenyl]sulfanylphenyl]-(3-oxidanylpropyl)amino]propan-1-ol

Systemtic Name: 3-[[4-[4-(acridin-9-ylamino)phenyl]sulfanylphenyl]-(3-oxidanylpropyl)amino]propan-1-ol Openeye Name: 3-[4-[4-(acridin-9-ylamino)phenyl]sulfanyl-N-(3-hydroxypropyl)anilino]propan-1-ol CAS Name: 3-[4-[[4-(9-acridinylamino)phenyl]thio]-N-(3-hydroxypropyl)anilino]-1-propanol IUPAC Name: 3-[4-[4-(acridin-9-ylamino)phenyl]sulfanyl-N-(3-hydroxypropyl)anilino]propan-1-ol Traditional Name: 3-[4-[[4-(acridin-9-ylamino)phenyl]thio]-N-(3-hydroxypropyl)anilino]propan-1-ol Formula: C31H31N3O2S MolecularWeight: 509.66174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)SC5=CC=C(C=C5)N(CCCO)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)SC5=CC=C(C=C5)N(CCCO)CCCO

InChI

InChI=1S/C31H31N3O2S/c35-21-5-19-34(20-6-22-36)24-13-17-26(18-14-24)37-25-15-11-23(12-16-25)32-31-27-7-1-3-9-29(27)33-30-10-4-2-8-28(30)31/h1-4,7-18,35-36H,5-6,19-22H2,(H,32,33)