N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-4-6-19(25)22-17-7-5-8-18(13-17)23-21(27)24-20(26)16-11-9-15(10-12-16)14(2)3/h5,7-14H,4,6H2,1-3H3,(H,22,25)(H2,23,24,26,27)