4-[3,4-bis(azanyl)-5-(4-isothiocyanatophenyl)pentyl]phenol

Systemtic Name: 4-[3,4-bis(azanyl)-5-(4-isothiocyanatophenyl)pentyl]phenol Openeye Name: 4-[3,4-diamino-5-(4-isothiocyanatophenyl)pentyl]phenol CAS Name: 4-[3,4-diamino-5-(4-isothiocyanatophenyl)pentyl]phenol IUPAC Name: 4-[3,4-diamino-5-(4-isothiocyanatophenyl)pentyl]phenol Traditional Name: 4-[3,4-diamino-5-(4-isothiocyanatophenyl)pentyl]phenol Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(CC2=CC=C(C=C2)N=C=S)N)N)O

Isomeric SMILES

C1=CC(=CC=C1CCC(C(CC2=CC=C(C=C2)N=C=S)N)N)O

InChI

InChI=1S/C18H21N3OS/c19-17(10-5-13-3-8-16(22)9-4-13)18(20)11-14-1-6-15(7-2-14)21-12-23/h1-4,6-9,17-18,22H,5,10-11,19-20H2