3-[(4-butan-2-ylphenyl)carbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(4-butan-2-ylphenyl)carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(4-sec-butylphenyl)carbamothioylamino]benzamide CAS Name: 3-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(4-sec-butylphenyl)thiocarbamoylamino]benzamide Formula: C25H27N3OS MolecularWeight: 417.56638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3OS/c1-3-18(2)20-12-14-22(15-13-20)27-25(30)28-23-11-7-10-21(16-23)24(29)26-17-19-8-5-4-6-9-19/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H2,27,28,30)