N-[(2-diethylaminoethylamino)-(7-methoxy-9-oxidanylidene-thioxanthen-4-yl)methyl]methanamide

Systemtic Name: N-[(2-diethylaminoethylamino)-(7-methoxy-9-oxidanylidene-thioxanthen-4-yl)methyl]methanamide Openeye Name: N-[(2-diethylaminoethylamino)-(7-methoxy-9-oxo-thioxanthen-4-yl)methyl]formamide CAS Name: N-[(2-diethylaminoethylamino)-(7-methoxy-9-oxo-4-thioxanthenyl)methyl]formamide IUPAC Name: N-[(2-diethylaminoethylamino)-(7-methoxy-9-oxothioxanthen-4-yl)methyl]formamide Traditional Name: N-[(2-diethylaminoethylamino)-(9-keto-7-methoxy-thioxanthen-4-yl)methyl]formamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(C1=CC=CC2=C1SC3=C(C2=O)C=C(C=C3)OC)NC=O

Isomeric SMILES

CCN(CC)CCNC(C1=CC=CC2=C1SC3=C(C2=O)C=C(C=C3)OC)NC=O

InChI

InChI=1S/C22H27N3O3S/c1-4-25(5-2)12-11-23-22(24-14-26)17-8-6-7-16-20(27)18-13-15(28-3)9-10-19(18)29-21(16)17/h6-10,13-14,22-23H,4-5,11-12H2,1-3H3,(H,24,26)