3-butoxy-N-[(2-oxidanylidenechromen-6-yl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(2-oxidanylidenechromen-6-yl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(2-oxo-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(2-ketochromen-6-yl)thiocarbamoyl]benzamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3

InChI

InChI=1S/C21H20N2O4S/c1-2-3-11-26-17-6-4-5-15(13-17)20(25)23-21(28)22-16-8-9-18-14(12-16)7-10-19(24)27-18/h4-10,12-13H,2-3,11H2,1H3,(H2,22,23,25,28)