1-(2-diethylaminoethylamino)-4-(phenylazanylmethyl)thioxanthen-9-one

Systemtic Name: 1-(2-diethylaminoethylamino)-4-(phenylazanylmethyl)thioxanthen-9-one Openeye Name: 4-(anilinomethyl)-1-(2-diethylaminoethylamino)thioxanthen-9-one CAS Name: 4-(anilinomethyl)-1-(2-diethylaminoethylamino)-9-thioxanthenone IUPAC Name: 4-(anilinomethyl)-1-(2-diethylaminoethylamino)thioxanthen-9-one Traditional Name: 4-(anilinomethyl)-1-(2-diethylaminoethylamino)thioxanthen-9-one Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNC3=CC=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNC3=CC=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C26H29N3OS/c1-3-29(4-2)17-16-27-22-15-14-19(18-28-20-10-6-5-7-11-20)26-24(22)25(30)21-12-8-9-13-23(21)31-26/h5-15,27-28H,3-4,16-18H2,1-2H3