4-propan-2-yl-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-propan-2-yl-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 4-isopropyl-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: N-[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: 4-propan-2-yl-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 4-isopropyl-N-[[(2-propoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H25N3O3S/c1-4-13-27-18-8-6-5-7-17(18)20(26)23-24-21(28)22-19(25)16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,26)(H2,22,24,25,28)