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

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 2-(3-methylbutoxy)-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

InChI

InChI=1S/C23H29N3O3S/c1-4-7-21(27)24-17-10-12-18(13-11-17)25-23(30)26-22(28)19-8-5-6-9-20(19)29-15-14-16(2)3/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,24,27)(H2,25,26,28,30)