3-(8-chloranyl-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine

Systemtic Name: 3-(8-chloranyl-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine Openeye Name: 3-(8-chloro-1,2-dimethyl-5-oxo-phenothiazin-10-yl)-N-[(3-methyl-2-thienyl)methyl]propan-1-amine CAS Name: 3-(8-chloro-1,2-dimethyl-5-oxo-10-phenothiazinyl)-N-[(3-methyl-2-thiophenyl)methyl]-1-propanamine IUPAC Name: 3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine Traditional Name: 3-(8-chloro-5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-[(3-methyl-2-thienyl)methyl]amine Formula: C23H25ClN2OS2 MolecularWeight: 445.0404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCNCC4=C(C=CS4)C)C=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCNCC4=C(C=CS4)C)C=C(C=C3)Cl)C

InChI

InChI=1S/C23H25ClN2OS2/c1-15-5-7-22-23(17(15)3)26(19-13-18(24)6-8-21(19)29(22)27)11-4-10-25-14-20-16(2)9-12-28-20/h5-9,12-13,25H,4,10-11,14H2,1-3H3