N-[(4-butylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(4-butylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(4-butylphenyl)carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(4-butylanilino)-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(4-butylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(4-butylphenyl)thiocarbamoyl]-3-methyl-coumarilamide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C21H22N2O2S/c1-3-4-7-15-10-12-16(13-11-15)22-21(26)23-20(24)19-14(2)17-8-5-6-9-18(17)25-19/h5-6,8-13H,3-4,7H2,1-2H3,(H2,22,23,24,26)