1-[2-(dipentylamino)ethylamino]-4-methyl-thioxanthen-9-one

Systemtic Name: 1-[2-(dipentylamino)ethylamino]-4-methyl-thioxanthen-9-one Openeye Name: 1-[2-(dipentylamino)ethylamino]-4-methyl-thioxanthen-9-one CAS Name: 1-[2-(dipentylamino)ethylamino]-4-methyl-9-thioxanthenone IUPAC Name: 1-[2-(dipentylamino)ethylamino]-4-methylthioxanthen-9-one Traditional Name: 1-[2-(diamylamino)ethylamino]-4-methyl-thioxanthen-9-one Formula: C26H36N2OS MolecularWeight: 424.64184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCN(CCCCC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C26H36N2OS/c1-4-6-10-17-28(18-11-7-5-2)19-16-27-22-15-14-20(3)26-24(22)25(29)21-12-8-9-13-23(21)30-26/h8-9,12-15,27H,4-7,10-11,16-19H2,1-3H3