2-azanyl-2-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propyl]propane-1,3-diol

Systemtic Name: 2-azanyl-2-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propyl]propane-1,3-diol Openeye Name: 2-amino-2-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propyl]propane-1,3-diol CAS Name: 2-amino-2-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propyl]propane-1,3-diol IUPAC Name: 2-amino-2-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propyl]propane-1,3-diol Traditional Name: 2-amino-2-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propyl]propane-1,3-diol Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)CCCC(CO)(CO)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)CCCC(CO)(CO)N

InChI

InChI=1S/C19H23N3O2S/c20-19(12-23,13-24)11-3-4-14-7-9-15(10-8-14)21-18-22-16-5-1-2-6-17(16)25-18/h1-2,5-10,23-24H,3-4,11-13,20H2,(H,21,22)