N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC

InChI

InChI=1S/C26H36N4O3S/c1-4-7-10-19-33-23-12-9-8-11-22(23)25(32)29-26(34)28-21-15-13-20(14-16-21)24(31)27-17-18-30(5-2)6-3/h8-9,11-16H,4-7,10,17-19H2,1-3H3,(H,27,31)(H2,28,29,32,34)