N-[(4-hex-1-ynylphenyl)carbamothioyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[(4-hex-1-ynylphenyl)carbamothioyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Openeye Name: N-[(4-hex-1-ynylphenyl)carbamothioyl]-3,5-dimethyl-isoxazole-4-carboxamide CAS Name: N-[(4-hex-1-ynylanilino)-sulfanylidenemethyl]-3,5-dimethyl-4-isoxazolecarboxamide IUPAC Name: N-[(4-hex-1-ynylphenyl)carbamothioyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Traditional Name: N-[(4-hex-1-ynylphenyl)thiocarbamoyl]-3,5-dimethyl-isoxazole-4-carboxamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(ON=C2C)C

Isomeric SMILES

CCCCC#CC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(ON=C2C)C

InChI

InChI=1S/C19H21N3O2S/c1-4-5-6-7-8-15-9-11-16(12-10-15)20-19(25)21-18(23)17-13(2)22-24-14(17)3/h9-12H,4-6H2,1-3H3,(H2,20,21,23,25)