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

Systemtic Name: 3-(8-chloranyl-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine Openeye Name: 3-(8-chloro-1,2-dimethyl-5-oxo-phenothiazin-10-yl)-N-[(3-methoxy-2-thienyl)methyl]propan-1-amine CAS Name: 3-(8-chloro-1,2-dimethyl-5-oxo-10-phenothiazinyl)-N-[(3-methoxy-2-thiophenyl)methyl]-1-propanamine IUPAC Name: 3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine Traditional Name: 3-(8-chloro-5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-[(3-methoxy-2-thienyl)methyl]amine Formula: C23H25ClN2O2S2 MolecularWeight: 461.0398

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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=C(C=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O2S2/c1-15-5-7-22-23(16(15)2)26(18-13-17(24)6-8-21(18)30(22)27)11-4-10-25-14-20-19(28-3)9-12-29-20/h5-9,12-13,25H,4,10-11,14H2,1-3H3