2-[(3,5-dimethylphenyl)carbamothioylamino]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 2-[(3,5-dimethylphenyl)carbamothioylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[(3,5-dimethylphenyl)carbamothioylamino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[(3,5-dimethylphenyl)carbamothioylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[(3,5-dimethylphenyl)thiocarbamoylamino]-N-(2-furfuryl)benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-16(11-14)23-21(27)24-19-8-4-3-7-18(19)20(25)22-13-17-6-5-9-26-17/h3-12H,13H2,1-2H3,(H,22,25)(H2,23,24,27)