4-heptoxy-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c1-3-4-5-6-7-16-30-21-14-10-19(11-15-21)23(29)27-24(31)26-20-12-8-18(9-13-20)17-22(28)25-2/h8-15H,3-7,16-17H2,1-2H3,(H,25,28)(H2,26,27,29,31)