3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-[[3-methoxy-5-(2-methylprop-1-enyl)thiophen-2-yl]methyl]propan-1-amine

Systemtic Name: 3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-[[3-methoxy-5-(2-methylprop-1-enyl)thiophen-2-yl]methyl]propan-1-amine Openeye Name: 3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)-N-[[3-methoxy-5-(2-methylprop-1-enyl)-2-thienyl]methyl]propan-1-amine CAS Name: 3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)-N-[[3-methoxy-5-(2-methylprop-1-enyl)-2-thiophenyl]methyl]-1-propanamine IUPAC Name: 3-(1,2-dimethyl-5-oxophenothiazin-10-yl)-N-[[3-methoxy-5-(2-methylprop-1-enyl)thiophen-2-yl]methyl]propan-1-amine Traditional Name: 3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-[[3-methoxy-5-(2-methylprop-1-enyl)-2-thienyl]methyl]amine Formula: C27H32N2O2S2 MolecularWeight: 480.68518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C(C=C(S4)C=C(C)C)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C(C=C(S4)C=C(C)C)OC)C

InChI

InChI=1S/C27H32N2O2S2/c1-18(2)15-21-16-23(31-5)24(32-21)17-28-13-8-14-29-22-9-6-7-10-25(22)33(30)26-12-11-19(3)20(4)27(26)29/h6-7,9-12,15-16,28H,8,13-14,17H2,1-5H3