N-methyl-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-methyl-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-methyl-2-[(4-pentoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-methyl-2-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-methyl-2-[(4-pentoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-[(4-amoxybenzoyl)thiocarbamoylamino]-N-methyl-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC

InChI

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