4-bromanyl-N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[(3-butyramidophenyl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C23H22BrN3O3S MolecularWeight: 500.40808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br

InChI

InChI=1S/C23H22BrN3O3S/c1-3-7-19(28)25-15-9-6-10-16(13-15)26-23(31)27-22(29)18-12-14-8-4-5-11-17(14)20(24)21(18)30-2/h4-6,8-13H,3,7H2,1-2H3,(H,25,28)(H2,26,27,29,31)