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

Systemtic Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC

InChI

InChI=1S/C27H38N4O3S/c1-4-7-8-11-20-34-24-13-10-9-12-23(24)26(33)30-27(35)29-22-16-14-21(15-17-22)25(32)28-18-19-31(5-2)6-3/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,28,32)(H2,29,30,33,35)