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4-heptoxy-N-[[(2-methylphenyl)carbonylamino]carbamothioyl]benzamide

4-heptoxy-N-[[(2-methylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name:4-heptoxy-N-[[(2-methylphenyl)carbonylamino]carbamothioyl]benzamide
Openeye Name:4-heptoxy-N-[[(2-methylbenzoyl)amino]carbamothioyl]benzamide
CAS Name:4-heptoxy-N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide
IUPAC Name:4-heptoxy-N-[[(2-methylbenzoyl)amino]carbamothioyl]benzamide
Traditional Name:4-heptoxy-N-[(o-toluoylamino)thiocarbamoyl]benzamide
Formula: C23H29N3O3S
MolecularWeight: 427.55966
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2C


Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2C


InChI

InChI=1S/C23H29N3O3S/c1-3-4-5-6-9-16-29-19-14-12-18(13-15-19)21(27)24-23(30)26-25-22(28)20-11-8-7-10-17(20)2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,25,28)(H2,24,26,27,30)


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