N-(4-bromanyl-2-methyl-phenyl)-2-[(3-ethylphenyl)carbamothioylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[(3-ethylphenyl)carbamothioylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[(3-ethylphenyl)carbamothioylamino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[(3-ethylanilino)-sulfanylidenemethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(3-ethylphenyl)carbamothioylamino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(3-ethylphenyl)thiocarbamoylamino]acetamide Formula: C18H20BrN3OS MolecularWeight: 406.3399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3OS/c1-3-13-5-4-6-15(10-13)21-18(24)20-11-17(23)22-16-8-7-14(19)9-12(16)2/h4-10H,3,11H2,1-2H3,(H,22,23)(H2,20,21,24)