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

Systemtic Name: N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 2-hexoxy-N-[[4-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: 2-hexoxy-N-[[4-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3S/c1-4-6-7-10-17-31-22-12-9-8-11-21(22)24(30)28-25(32)27-20-15-13-19(14-16-20)23(29)26-18(3)5-2/h8-9,11-16,18H,4-7,10,17H2,1-3H3,(H,26,29)(H2,27,28,30,32)