N-[[4-(diethylamino)phenyl]carbamothioyl]-4-phenoxy-butanamide

Systemtic Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-4-phenoxy-butanamide Openeye Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-4-phenoxy-butanamide CAS Name: N-[[4-(diethylamino)anilino]-sulfanylidenemethyl]-4-phenoxybutanamide IUPAC Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-4-phenoxybutanamide Traditional Name: N-[[4-(diethylamino)phenyl]thiocarbamoyl]-4-phenoxy-butyramide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2S/c1-3-24(4-2)18-14-12-17(13-15-18)22-21(27)23-20(25)11-8-16-26-19-9-6-5-7-10-19/h5-7,9-10,12-15H,3-4,8,11,16H2,1-2H3,(H2,22,23,25,27)