N-(2-hydroxyethyl)-9-[2-[methyl(methylcarbamothioyl)amino]ethylamino]acridine-4-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-9-[2-[methyl(methylcarbamothioyl)amino]ethylamino]acridine-4-carboxamide Openeye Name: N-(2-hydroxyethyl)-9-[2-[methyl(methylcarbamothioyl)amino]ethylamino]acridine-4-carboxamide CAS Name: N-(2-hydroxyethyl)-9-[2-[methyl-[methylamino(sulfanylidene)methyl]amino]ethylamino]-4-acridinecarboxamide IUPAC Name: N-(2-hydroxyethyl)-9-[2-[methyl(methylcarbamothioyl)amino]ethylamino]acridine-4-carboxamide Traditional Name: N-(2-hydroxyethyl)-9-[2-[methyl(methylthiocarbamoyl)amino]ethylamino]acridine-4-carboxamide Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(C)CCNC1=C2C=CC=C(C2=NC3=CC=CC=C31)C(=O)NCCO

Isomeric SMILES

CNC(=S)N(C)CCNC1=C2C=CC=C(C2=NC3=CC=CC=C31)C(=O)NCCO

InChI

InChI=1S/C21H25N5O2S/c1-22-21(29)26(2)12-10-23-18-14-6-3-4-9-17(14)25-19-15(18)7-5-8-16(19)20(28)24-11-13-27/h3-9,27H,10-13H2,1-2H3,(H,22,29)(H,23,25)(H,24,28)