N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: 3-phenethyloxy-N-[[4-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: 3-phenethyloxy-N-[[4-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O4S/c32-26(29-19-25-10-5-16-34-25)21-11-13-23(14-12-21)30-28(36)31-27(33)22-8-4-9-24(18-22)35-17-15-20-6-2-1-3-7-20/h1-4,6-9,11-14,18,25H,5,10,15-17,19H2,(H,29,32)(H2,30,31,33,36)