4-(2-azanylethylamino)-1-[3-(dimethylamino)propylamino]-7-methoxy-thioxanthen-9-one

Systemtic Name: 4-(2-azanylethylamino)-1-[3-(dimethylamino)propylamino]-7-methoxy-thioxanthen-9-one Openeye Name: 4-(2-aminoethylamino)-1-[3-(dimethylamino)propylamino]-7-methoxy-thioxanthen-9-one CAS Name: 4-(2-aminoethylamino)-1-[3-(dimethylamino)propylamino]-7-methoxy-9-thioxanthenone IUPAC Name: 4-(2-aminoethylamino)-1-[3-(dimethylamino)propylamino]-7-methoxythioxanthen-9-one Traditional Name: 4-(2-aminoethylamino)-1-[3-(dimethylamino)propylamino]-7-methoxy-thioxanthen-9-one Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C2C(=C(C=C1)NCCN)SC3=C(C2=O)C=C(C=C3)OC

Isomeric SMILES

CN(C)CCCNC1=C2C(=C(C=C1)NCCN)SC3=C(C2=O)C=C(C=C3)OC

InChI

InChI=1S/C21H28N4O2S/c1-25(2)12-4-10-23-16-6-7-17(24-11-9-22)21-19(16)20(26)15-13-14(27-3)5-8-18(15)28-21/h5-8,13,23-24H,4,9-12,22H2,1-3H3