butyl 2-chloranyl-5-(3-phenylprop-2-enoylcarbamothioylamino)benzoate

Systemtic Name: butyl 2-chloranyl-5-(3-phenylprop-2-enoylcarbamothioylamino)benzoate Openeye Name: butyl 2-chloro-5-(3-phenylprop-2-enoylcarbamothioylamino)benzoate CAS Name: 2-chloro-5-[[[(1-oxo-3-phenylprop-2-enyl)amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-chloro-5-(3-phenylprop-2-enoylcarbamothioylamino)benzoate Traditional Name: 2-chloro-5-(cinnamoylthiocarbamoylamino)benzoic acid butyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3S/c1-2-3-13-27-20(26)17-14-16(10-11-18(17)22)23-21(28)24-19(25)12-9-15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3,(H2,23,24,25,28)