N-butyl-2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butyl-2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-butyl-2-[(4-heptoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-butyl-2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-2-[(4-heptoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-butyl-2-[(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=CC=C2C(=O)NCCCC

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3S/c1-3-5-7-8-11-19-32-21-16-14-20(15-17-21)24(30)29-26(33)28-23-13-10-9-12-22(23)25(31)27-18-6-4-2/h9-10,12-17H,3-8,11,18-19H2,1-2H3,(H,27,31)(H2,28,29,30,33)