N-[[4-(diethylamino)phenyl]carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[4-(diethylamino)anilino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[4-(diethylamino)phenyl]thiocarbamoyl]-4-heptoxy-benzamide Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N(CC)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N(CC)CC

InChI

InChI=1S/C25H35N3O2S/c1-4-7-8-9-10-19-30-23-17-11-20(12-18-23)24(29)27-25(31)26-21-13-15-22(16-14-21)28(5-2)6-3/h11-18H,4-10,19H2,1-3H3,(H2,26,27,29,31)