4-(2-azanylethylamino)-1-(2-diethylaminoethylamino)-6-methoxy-thioxanthen-9-one

Systemtic Name: 4-(2-azanylethylamino)-1-(2-diethylaminoethylamino)-6-methoxy-thioxanthen-9-one Openeye Name: 4-(2-aminoethylamino)-1-(2-diethylaminoethylamino)-6-methoxy-thioxanthen-9-one CAS Name: 4-(2-aminoethylamino)-1-(2-diethylaminoethylamino)-6-methoxy-9-thioxanthenone IUPAC Name: 4-(2-aminoethylamino)-1-(2-diethylaminoethylamino)-6-methoxythioxanthen-9-one Traditional Name: 4-(2-aminoethylamino)-1-(2-diethylaminoethylamino)-6-methoxy-thioxanthen-9-one Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)NCCN)SC3=C(C2=O)C=CC(=C3)OC

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)NCCN)SC3=C(C2=O)C=CC(=C3)OC

InChI

InChI=1S/C22H30N4O2S/c1-4-26(5-2)13-12-25-17-8-9-18(24-11-10-23)22-20(17)21(27)16-7-6-15(28-3)14-19(16)29-22/h6-9,14,24-25H,4-5,10-13,23H2,1-3H3