N-(2-acetamidoethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Openeye Name: N-(2-acetamidoethyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide CAS Name: N-(2-acetamidoethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(2-acetamidoethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Traditional Name: N-(2-acetamidoethyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide Formula: C20H27N5O2S MolecularWeight: 401.52568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1CCC(CC1)CNC2=NC(=S)NC3=CC=CC=C32

Isomeric SMILES

CC(=O)NCCNC(=O)C1CCC(CC1)CNC2=NC(=S)NC3=CC=CC=C32

InChI

InChI=1S/C20H27N5O2S/c1-13(26)21-10-11-22-19(27)15-8-6-14(7-9-15)12-23-18-16-4-2-3-5-17(16)24-20(28)25-18/h2-5,14-15H,6-12H2,1H3,(H,21,26)(H,22,27)(H2,23,24,25,28)