N-[(4-butylphenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[(4-butylphenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(4-butylphenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[(4-butylanilino)-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(4-butylphenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(4-butylphenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C18H18N4OS2 MolecularWeight: 370.49172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C18H18N4OS2/c1-2-3-4-12-5-8-14(9-6-12)19-18(24)20-17(23)13-7-10-15-16(11-13)22-25-21-15/h5-11H,2-4H2,1H3,(H2,19,20,23,24)