3-(7-isocyano-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine

Systemtic Name: 3-(7-isocyano-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine Openeye Name: 3-(7-isocyano-1,2-dimethyl-5-oxo-phenothiazin-10-yl)-N-[(3-methoxy-2-thienyl)methyl]propan-1-amine CAS Name: 3-(7-isocyano-1,2-dimethyl-5-oxo-10-phenothiazinyl)-N-[(3-methoxy-2-thiophenyl)methyl]-1-propanamine IUPAC Name: 3-(7-isocyano-1,2-dimethyl-5-oxophenothiazin-10-yl)-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine Traditional Name: 3-(7-isocyano-5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-[(3-methoxy-2-thienyl)methyl]amine Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCNCC4=C(C=CS4)OC)C=CC(=C3)[N+]#[C-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCNCC4=C(C=CS4)OC)C=CC(=C3)[N+]#[C-])C

InChI

InChI=1S/C24H25N3O2S2/c1-16-6-9-22-24(17(16)2)27(19-8-7-18(25-3)14-23(19)31(22)28)12-5-11-26-15-21-20(29-4)10-13-30-21/h6-10,13-14,26H,5,11-12,15H2,1-2,4H3