4-tert-butyl-N-[(3-heptoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(3-heptoxyphenyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[(3-heptoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(3-heptoxyphenyl)thiocarbamoyl]benzamide Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2S/c1-5-6-7-8-9-17-29-22-12-10-11-21(18-22)26-24(30)27-23(28)19-13-15-20(16-14-19)25(2,3)4/h10-16,18H,5-9,17H2,1-4H3,(H2,26,27,28,30)