diethyl-[7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenothiazin-3-ylidene]azanium

Systemtic Name: diethyl-[7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenothiazin-3-ylidene]azanium Openeye Name: [7-[2-(tert-butoxycarbonylamino)ethylamino]phenothiazin-3-ylidene]-diethyl-ammonium CAS Name: diethyl-[7-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-3-phenothiazinylidene]ammonium IUPAC Name: diethyl-[7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenothiazin-3-ylidene]azanium Traditional Name: [7-[2-(tert-butoxycarbonylamino)ethylamino]phenothiazin-3-ylidene]-diethyl-ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1C=CC2=NC3=C(C=C(C=C3)NCCNC(=O)OC(C)(C)C)SC2=C1)CC

Isomeric SMILES

CC[N+](=C1C=CC2=NC3=C(C=C(C=C3)NCCNC(=O)OC(C)(C)C)SC2=C1)CC

InChI

InChI=1S/C23H30N4O2S/c1-6-27(7-2)17-9-11-19-21(15-17)30-20-14-16(8-10-18(20)26-19)24-12-13-25-22(28)29-23(3,4)5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,28)/p+1