2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]benzamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoylamino]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N

InChI

InChI=1S/C22H27N3O3S/c1-2-3-4-5-8-15-28-17-13-11-16(12-14-17)21(27)25-22(29)24-19-10-7-6-9-18(19)20(23)26/h6-7,9-14H,2-5,8,15H2,1H3,(H2,23,26)(H2,24,25,27,29)