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

Systemtic Name: N-(2-acetamidoethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide Openeye Name: N-(2-acetamidoethyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzamide CAS Name: N-(2-acetamidoethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide IUPAC Name: N-(2-acetamidoethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide Traditional Name: N-(2-acetamidoethyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=CC=C(C=C1)CNC2=NC(=S)NC3=CC=CC=C32

Isomeric SMILES

CC(=O)NCCNC(=O)C1=CC=C(C=C1)CNC2=NC(=S)NC3=CC=CC=C32

InChI

InChI=1S/C20H21N5O2S/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/h2-9H,10-12H2,1H3,(H,21,26)(H,22,27)(H2,23,24,25,28)