4-methyl-1-[3-[4-[3-[(4-methyl-9-oxidanylidene-thioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one

Systemtic Name: 4-methyl-1-[3-[4-[3-[(4-methyl-9-oxidanylidene-thioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one Openeye Name: 4-methyl-1-[3-[4-[3-[(4-methyl-9-oxo-thioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one CAS Name: 4-methyl-1-[3-[4-[3-[(4-methyl-9-oxo-1-thioxanthenyl)amino]propyl]-1-piperazinyl]propylamino]-9-thioxanthenone IUPAC Name: 4-methyl-1-[3-[4-[3-[(4-methyl-9-oxothioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one Traditional Name: 1-[3-[4-[3-[(9-keto-4-methyl-thioxanthen-1-yl)amino]propyl]piperazino]propylamino]-4-methyl-thioxanthen-9-one Formula: C38H40N4O2S2 MolecularWeight: 648.8798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCCN3CCN(CC3)CCCNC4=C5C(=C(C=C4)C)SC6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C7S2

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCCN3CCN(CC3)CCCNC4=C5C(=C(C=C4)C)SC6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C7S2

InChI

InChI=1S/C38H40N4O2S2/c1-25-13-15-29(33-35(43)27-9-3-5-11-31(27)45-37(25)33)39-17-7-19-41-21-23-42(24-22-41)20-8-18-40-30-16-14-26(2)38-34(30)36(44)28-10-4-6-12-32(28)46-38/h3-6,9-16,39-40H,7-8,17-24H2,1-2H3