N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H25N3O2S/c1-4-5-19(25)22-17-10-12-18(13-11-17)23-21(27)24-20(26)16-8-6-15(7-9-16)14(2)3/h6-14H,4-5H2,1-3H3,(H,22,25)(H2,23,24,26,27)