4-methyl-1-[2-[4-[2-[(4-methyl-9-oxidanylidene-thioxanthen-1-yl)amino]ethyl]piperazin-1-yl]ethylamino]thioxanthen-9-one

Systemtic Name: 4-methyl-1-[2-[4-[2-[(4-methyl-9-oxidanylidene-thioxanthen-1-yl)amino]ethyl]piperazin-1-yl]ethylamino]thioxanthen-9-one Openeye Name: 4-methyl-1-[2-[4-[2-[(4-methyl-9-oxo-thioxanthen-1-yl)amino]ethyl]piperazin-1-yl]ethylamino]thioxanthen-9-one CAS Name: 4-methyl-1-[2-[4-[2-[(4-methyl-9-oxo-1-thioxanthenyl)amino]ethyl]-1-piperazinyl]ethylamino]-9-thioxanthenone IUPAC Name: 4-methyl-1-[2-[4-[2-[(4-methyl-9-oxothioxanthen-1-yl)amino]ethyl]piperazin-1-yl]ethylamino]thioxanthen-9-one Traditional Name: 1-[2-[4-[2-[(9-keto-4-methyl-thioxanthen-1-yl)amino]ethyl]piperazino]ethylamino]-4-methyl-thioxanthen-9-one Formula: C36H36N4O2S2 MolecularWeight: 620.82664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCN3CCN(CC3)CCNC4=C5C(=C(C=C4)C)SC6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C7S2

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCN3CCN(CC3)CCNC4=C5C(=C(C=C4)C)SC6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C7S2

InChI

InChI=1S/C36H36N4O2S2/c1-23-11-13-27(31-33(41)25-7-3-5-9-29(25)43-35(23)31)37-15-17-39-19-21-40(22-20-39)18-16-38-28-14-12-24(2)36-32(28)34(42)26-8-4-6-10-30(26)44-36/h3-14,37-38H,15-22H2,1-2H3