N-butyl-4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butyl-4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-butyl-4-[(4-heptoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-butyl-4-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-4-[(4-heptoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-butyl-4-[(4-heptoxybenzoyl)thiocarbamoylamino]benzamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCCC

InChI

InChI=1S/C26H35N3O3S/c1-3-5-7-8-9-19-32-23-16-12-21(13-17-23)25(31)29-26(33)28-22-14-10-20(11-15-22)24(30)27-18-6-4-2/h10-17H,3-9,18-19H2,1-2H3,(H,27,30)(H2,28,29,31,33)