N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[3-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[3-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[3-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-4-heptoxy-benzamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3S/c1-4-5-6-7-8-18-32-23-15-13-21(14-16-23)25(31)28-26(33)27-22-11-9-10-20(19-22)12-17-24(30)29(2)3/h9-11,13-16,19H,4-8,12,17-18H2,1-3H3,(H2,27,28,31,33)