4-[(2,6-diethylphenyl)carbamothioylamino]benzamide

Systemtic Name: 4-[(2,6-diethylphenyl)carbamothioylamino]benzamide Openeye Name: 4-[(2,6-diethylphenyl)carbamothioylamino]benzamide CAS Name: 4-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[(2,6-diethylphenyl)carbamothioylamino]benzamide Traditional Name: 4-[(2,6-diethylphenyl)thiocarbamoylamino]benzamide Formula: C18H21N3OS MolecularWeight: 327.44384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C18H21N3OS/c1-3-12-6-5-7-13(4-2)16(12)21-18(23)20-15-10-8-14(9-11-15)17(19)22/h5-11H,3-4H2,1-2H3,(H2,19,22)(H2,20,21,23)