methyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(2-naphthyloxy)propanoylamino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-(2-naphthoxy)propanoylamino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)C(=O)OC)OC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)C(=O)OC)OC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H21N3O5S/c1-14(31-19-12-11-15-5-3-4-6-18(15)13-19)20(27)25-26-23(32)24-21(28)16-7-9-17(10-8-16)22(29)30-2/h3-14H,1-2H3,(H,25,27)(H2,24,26,28,32)