5-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-4-methyl-thiophene-2-carboxamide

Systemtic Name: 5-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-4-methyl-thiophene-2-carboxamide Openeye Name: 5-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]-4-methyl-thiophene-2-carboxamide CAS Name: 5-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]-4-methyl-2-thiophenecarboxamide IUPAC Name: 5-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]-4-methylthiophene-2-carboxamide Traditional Name: 5-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]-4-methyl-thiophene-2-carboxamide Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2S2/c1-15-9-10-22-23(17(15)3)27(18-7-4-5-8-21(18)31(22)29)12-6-11-26-14-20-16(2)13-19(30-20)24(25)28/h4-5,7-10,13,26H,6,11-12,14H2,1-3H3,(H2,25,28)