1-azanyl-2-(2-diethylaminoethyl)-7-methoxy-9-oxidanylidene-thioxanthene-4-carbaldehyde

Systemtic Name: 1-azanyl-2-(2-diethylaminoethyl)-7-methoxy-9-oxidanylidene-thioxanthene-4-carbaldehyde Openeye Name: 1-amino-2-(2-diethylaminoethyl)-7-methoxy-9-oxo-thioxanthene-4-carbaldehyde CAS Name: 1-amino-2-(2-diethylaminoethyl)-7-methoxy-9-oxo-4-thioxanthenecarboxaldehyde IUPAC Name: 1-amino-2-(2-diethylaminoethyl)-7-methoxy-9-oxothioxanthene-4-carbaldehyde Traditional Name: 1-amino-2-(2-diethylaminoethyl)-9-keto-7-methoxy-thioxanthene-4-carbaldehyde Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C2=C(C(=C1)C=O)SC3=C(C2=O)C=C(C=C3)OC)N

Isomeric SMILES

CCN(CC)CCC1=C(C2=C(C(=C1)C=O)SC3=C(C2=O)C=C(C=C3)OC)N

InChI

InChI=1S/C21H24N2O3S/c1-4-23(5-2)9-8-13-10-14(12-24)21-18(19(13)22)20(25)16-11-15(26-3)6-7-17(16)27-21/h6-7,10-12H,4-5,8-9,22H2,1-3H3