2-[8,9-dimethyl-5-oxidanylidene-10-[3-[(phenylmethyl)amino]propyl]phenothiazin-2-yl]ethanol

Systemtic Name: 2-[8,9-dimethyl-5-oxidanylidene-10-[3-[(phenylmethyl)amino]propyl]phenothiazin-2-yl]ethanol Openeye Name: 2-[10-[3-(benzylamino)propyl]-8,9-dimethyl-5-oxo-phenothiazin-2-yl]ethanol CAS Name: 2-[8,9-dimethyl-5-oxo-10-[3-[(phenylmethyl)amino]propyl]-2-phenothiazinyl]ethanol IUPAC Name: 2-[10-[3-(benzylamino)propyl]-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol Traditional Name: 2-[10-[3-(benzylamino)propyl]-5-keto-8,9-dimethyl-phenothiazin-2-yl]ethanol Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCNCC4=CC=CC=C4)C=C(C=C3)CCO)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCNCC4=CC=CC=C4)C=C(C=C3)CCO)C

InChI

InChI=1S/C26H30N2O2S/c1-19-9-11-25-26(20(19)2)28(15-6-14-27-18-22-7-4-3-5-8-22)23-17-21(13-16-29)10-12-24(23)31(25)30/h3-5,7-12,17,27,29H,6,13-16,18H2,1-2H3