N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]-4-heptoxy-benzamide Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H28ClN3O3S/c1-2-3-4-5-6-15-30-20-13-9-18(10-14-20)22(29)25-23(31)27-26-21(28)16-17-7-11-19(24)12-8-17/h7-14H,2-6,15-16H2,1H3,(H,26,28)(H2,25,27,29,31)