3-[(cyclohexa-1,5-dien-1-ylcarbamothioylamino)methyl]-5-methyl-benzamide

Systemtic Name: 3-[(cyclohexa-1,5-dien-1-ylcarbamothioylamino)methyl]-5-methyl-benzamide Openeye Name: 3-[(cyclohexa-1,5-dien-1-ylcarbamothioylamino)methyl]-5-methyl-benzamide CAS Name: 3-[[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]methyl]-5-methylbenzamide IUPAC Name: 3-[(cyclohexa-1,5-dien-1-ylcarbamothioylamino)methyl]-5-methylbenzamide Traditional Name: 3-[(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)methyl]-5-methyl-benzamide Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N)CNC(=S)NC2=CCCC=C2

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N)CNC(=S)NC2=CCCC=C2

InChI

InChI=1S/C16H19N3OS/c1-11-7-12(9-13(8-11)15(17)20)10-18-16(21)19-14-5-3-2-4-6-14/h3,5-9H,2,4,10H2,1H3,(H2,17,20)(H2,18,19,21)