N-(3,4-dimethylphenyl)-2-(pentanoylcarbamothioylamino)benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-(pentanoylcarbamothioylamino)benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-(pentanoylcarbamothioylamino)benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(pentanoylcarbamothioylamino)benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-(valerylthiocarbamoylamino)benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H25N3O2S/c1-4-5-10-19(25)24-21(27)23-18-9-7-6-8-17(18)20(26)22-16-12-11-14(2)15(3)13-16/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,26)(H2,23,24,25,27)