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

Systemtic Name: 4-bromanyl-N-[(3,4-dimethylphenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[(3,4-dimethylphenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[(3,4-dimethylanilino)-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[(3,4-dimethylphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[(3,4-dimethylphenyl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C21H19BrN2O2S MolecularWeight: 443.35676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C

InChI

InChI=1S/C21H19BrN2O2S/c1-12-8-9-15(10-13(12)2)23-21(27)24-20(25)17-11-14-6-4-5-7-16(14)18(22)19(17)26-3/h4-11H,1-3H3,(H2,23,24,25,27)