heptyl 4-(phenylcarbamothioylamino)benzoate

Systemtic Name: heptyl 4-(phenylcarbamothioylamino)benzoate Openeye Name: heptyl 4-(phenylcarbamothioylamino)benzoate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]benzoic acid heptyl ester IUPAC Name: heptyl 4-(phenylcarbamothioylamino)benzoate Traditional Name: 4-(phenylthiocarbamoylamino)benzoic acid heptyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-2-3-4-5-9-16-25-20(24)17-12-14-19(15-13-17)23-21(26)22-18-10-7-6-8-11-18/h6-8,10-15H,2-5,9,16H2,1H3,(H2,22,23,26)