1-[3-(dipentylamino)propylamino]-4-methyl-thioxanthen-9-one chloride

Systemtic Name: 1-[3-(dipentylamino)propylamino]-4-methyl-thioxanthen-9-one chloride Openeye Name: 1-[3-(dipentylamino)propylamino]-4-methyl-thioxanthen-9-one chloride CAS Name: 1-[3-(dipentylamino)propylamino]-4-methyl-9-thioxanthenone chloride IUPAC Name: 1-[3-(dipentylamino)propylamino]-4-methylthioxanthen-9-one chloride Traditional Name: 1-[3-(diamylamino)propylamino]-4-methyl-thioxanthen-9-one chloride Formula: C27H38ClN2OS- MolecularWeight: 474.12142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)CCCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.[Cl-]

Isomeric SMILES

CCCCCN(CCCCC)CCCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.[Cl-]

InChI

InChI=1S/C27H38N2OS.ClH/c1-4-6-10-18-29(19-11-7-5-2)20-12-17-28-23-16-15-21(3)27-25(23)26(30)22-13-8-9-14-24(22)31-27;/h8-9,13-16,28H,4-7,10-12,17-20H2,1-3H3;1H/p-1