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

Systemtic Name: N-[(4-acetamidophenyl)carbamothioyl]-4-bromanyl-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[(4-acetamidophenyl)carbamothioyl]-4-bromo-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[(4-acetamidoanilino)-sulfanylidenemethyl]-4-bromo-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[(4-acetamidophenyl)carbamothioyl]-4-bromo-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[(4-acetamidophenyl)thiocarbamoyl]-4-bromo-3-methoxy-2-naphthamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O3S/c1-12(26)23-14-7-9-15(10-8-14)24-21(29)25-20(27)17-11-13-5-3-4-6-16(13)18(22)19(17)28-2/h3-11H,1-2H3,(H,23,26)(H2,24,25,27,29)