ethyl 4-(heptan-2-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(heptan-2-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1-methylhexylcarbamothioylamino)benzoate CAS Name: 4-[[(heptan-2-ylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(heptan-2-ylcarbamothioylamino)benzoate Traditional Name: 4-(1-methylhexylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCCCCC(C)NC(=S)NC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C17H26N2O2S/c1-4-6-7-8-13(3)18-17(22)19-15-11-9-14(10-12-15)16(20)21-5-2/h9-13H,4-8H2,1-3H3,(H2,18,19,22)